NaNO2

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for NaNO2 are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the NaNO2?

The molecule NaNO2 presents a molecular formula of NNaO2 and its IUPAC name is sodium; nitrite.

NaNO2 is a molecule composed of one sodium atom and two oxygen atoms. The oxygen atoms are bonded to the sodium atom via single covalent bonds. The molecule has a linear geometry and is polar. The polarity of the molecule is due to the difference in electronegativity between the oxygen atoms and the sodium atom. The oxygen atoms are more electronegative than the sodium atom and as a result, they pull the electron density away from the sodium atom. This creates a dipole moment within the molecule. The dipole moment of the molecule is 0.162 D..

3D structure

Cartesian coordinates

Geometry of NaNO2 in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

NaNO2 LPXPTNMVRIOKMN-UHFFFAOYSA-M chemical compound 2D structure molecule svg
NaNO2

 

Molecule descriptors

 
IUPAC namesodium; nitrite
InChI codeInChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
InChI KeyLPXPTNMVRIOKMN-UHFFFAOYSA-M
SMILESN(=O)[O-].[Na+]

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.

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC namesodium; nitrite
Molecular formulaNNaO2
Molecular weight69.00
Melting point (ºC)271
Boiling point (ºC)320
Density (g/cm3)2.164
Molar refractivity
LogP-
Topological polar surface area52.5

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.