Piconol

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Piconol are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Piconol?

The molecule Piconol presents a molecular formula of C6H7NO and its IUPAC name is pyridin-2-ylmethanol.

Piconol is a chemical compound (a pale yellow liquid soluble in organic solvents and has a sweet, fruity smell). Piconol is used as a raw material in the synthesis of a variety of chemicals, including pharmaceuticals, dyes, and fragrances..

One of the primary uses of piconol is as a intermediate in the synthesis of pyridoxine, also known as vitamin B6. Pyridoxine is an essential nutrient that plays a key role in the metabolism of proteins, carbohydrates, and fats, and it is also involved in the production of neurotransmitters, hormones, and red blood cells. Vitamin B6 deficiency can lead to anemia, nerve damage, and skin disorders, so it is important to get enough of this nutrient in the diet..

Piconol is also used in the synthesis of other chemicals, such as pyridoxal, which is a derivative of vitamin B6 and is used in the treatment of liver disease. Piconol is also used in the synthesis of fragrances, such as rose and lily of the valley, and it is also used in the production of dyes and pigments..

Summary

From all the above, this molecule is a versatile chemical that is used in a variety of applications, including the synthesis of pharmaceuticals, fragrances, and dyes. It is important to handle piconol with caution, as it can be toxic if ingested or inhaled in high concentrations. Piconol should only be used in well-ventilated areas and with proper protective equipment, as directed by a healthcare provider or chemical safety guidelines..

3D structure

Cartesian coordinates

Geometry of Piconol in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Piconol SHNUBALDGXWUJI-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Piconol

 

Molecule descriptors

 
IUPAC namepyridin-2-ylmethanol
InChI codeInChI=1S/C6H7NO/c8-5-6-3-1-2-4-7-6/h1-4,8H,5H2
InChI KeySHNUBALDGXWUJI-UHFFFAOYSA-N
SMILESOCc1ccccn1

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • (Pyridin-2-yl)methanol
  • .alpha.-Picolyl alcohol
  • 2-(Hydroxymethyl)pyridine
  • 2-(hydroxymethyl) pyridine
  • 2-(hydroxymethyl)-pyridine
  • 2-PYRIDINEMETHANOL
  • 2-Pyridine methanol
  • 2-Pyridinylmethanol
  • 2-Pyridyl carbinol
  • 2-Pyridylcarbinol
  • 2-Pyridylmethanol
  • 2-hydroxymethyl pyridine
  • 2-hydroxymethyl-pyridine
  • 2-hydroxymethylpyridine
  • 2-hydroxymethylpyridine(pyridine-2-methanol)
  • 2-pyridine-methanol
  • 2-pyridinyl carbinol
  • 2-pyridinylcarbinol
  • 4-(2-Aminoethoxy)-3-methoxybenzoicacid
  • 586-98-1
  • 7HQ8UT1TPS
  • A8296
  • AB01563256_01
  • AC7883
  • AE-641/00340018
  • AM804089
  • BCP25788
  • BRN 0107849
  • CCG-214048
  • CS-W020042
  • DB-021521
  • DSSTox_CID_26531
  • DSSTox_GSID_46531
  • DSSTox_RID_81696
  • F0001-1533
  • FG-0436
  • FT-0613393
  • HMS3264E03
  • HY-Y0004
  • MFCD00006348
  • NCGC00166075-01
  • NCGC00166075-02
  • NSC 760363
  • NSC-760363
  • NSC760363
  • P0556
  • Pharmakon1600-01506166
  • Piconol
  • Piconolum
  • Pyridin-2-Yl-Methanol
  • Pyridine-2-carbinol
  • Pyridine-2-methanol
  • Pyridine-2-methanol (2-Pyridylcarbinol)
  • Pyridinemethanol
  • Q-101881
  • Q27268311
  • SR-01000944286
  • SR-01000944286-1
  • STR00171
  • SY005684
  • TIMTEC-BB SBB004348 RARECHEM AL BD 0182 PYRIDINE-2-METHANOL PYRIDIN-2-YL-METHANOL OMEGA-HYDROXY-2-PICOLINE
  • Z57921252
  • alpha-Picolyl alcohol
  • hydroxymethylpyridine
  • pyridin-2-ylmethanol
  • pyridin-2-ylmethanol;2-Pyridinemethanol
  • pyridine-2-yl-methanol
  • pyridine-2-ylmethanol
  • pyridine-methanol
  • pyridinyl-methanol

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC158585
  • CAS-586-98-1
  • UNII-7HQ8UT1TPS
  • AKOS000249319
  • DTXSID8046531
  • CHEMBL2103981
  • Tox21_112305
  • Tox21_112305_1
  • EINECS 209-592-7
  • SCHEMBL29266

Physico-Chemical properties

IUPAC namepyridin-2-ylmethanol
Molecular formulaC6H7NO
Molecular weight109.126
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity30.36
LogP0.6
Topological polar surface area33.1

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.