Names and identifiers
- IUPAC name
- nitrite
- Synonyms
- NO2-, E250, Nitrite Ion
+ 36 more
Nitrite anion, Nitrite (NO2-), Nitrites, Nitrous acid, ion(1-), Nitrite(1-), Nitrite ion (NO2-), Nitrogen dioxide ion(1-), Nitrogen peroxide ion(1-), DTXSID5024219, J39976L608, CHEBI:16301, RefChem:55716, DTXCID704219, MFCD00144923, Nitrite as N @ 1000 microg/mL in H2O, Nitrite Standard: NO2- @ 1000 microg/mL in H2O, Nitrite Standard: NO2- @ 10000 microg/mL in H2O, Nitrit, dioxonitrate(1-), dioxonitrate(III), UNII-J39976L608, dioxidonitrate(1-), ONO-, Anion Standard - Nitrite, CHEMBL1361, BDBM26989, BDBM50147619, NO2(-), DB12529, Water Supply QC Check Sample: Nitrite, NCGC00090737-03, NCGC00090737-04, [NO2](-), NS00114193, AB01566909_01, Q213788
- Molecular formula
- NO2-
- Empirical formula
- NO2
- Molecular weight
- 46.006 g/mol
- Exact mass
- 45.99290
- CAS number
- 14797-65-0
- PubChem CID
- 946
- Canonical SMILES
- N(=O)[O-]
- Isomeric SMILES
- N(=O)[O-]
- InChI
- InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
- InChIKey
- IOVCWXUNBOPUCH-UHFFFAOYSA-M
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Nitrites, inorganic, n.o.s. appears as colorless solutions or crystalline solids. Denser than water. Contact may cause irritation to skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.[1]
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 3
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 0
- H-bond acceptors
- 3
- Rotatable bonds
- 0
- TPSA (Ų)
- 52.5
- Formal charge
- -1
- XLogP3
- -0.8 PubChem
- Complexity
- 7 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- C2v of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- N30.45%
- O69.55%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 0.25 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -0.28 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.63 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 46.01
- log P ≤ 5 (Crippen): 0.25
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 3
Passes all four rules.
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
First aid
- Excerpt from ERG Guide 140 [Oxidizers]: Refer to the "General First Aid" section. Specific First Aid: Contaminated clothing may be a fire risk when dry. (ERG, 2024)[1]
Safety data sheets on the supplier’s page: RR Scientific, Alfa Chemistry, BenchChem.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.