3-nitro-2-nitrosopyridine

C5H3N3O3 — CID 140999580

IUPAC3-nitro-2-nitrosopyridine
SMILESO=Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C5H3N3O3/c9-7-5-4(8(10)11)2-1-3-6-5/h1-3H
InChIKeyPKDDXNCRPQWEKD-UHFFFAOYSA-N
MW153.10 g/mol
LogP1.39
Rot. Bonds2

About 3-nitro-2-nitrosopyridine

3-nitro-2-nitrosopyridine (PubChem CID 140999580) has the molecular formula C5H3N3O3 and a molecular weight of 153.10 g/mol. Its IUPAC name is 3-nitro-2-nitrosopyridine.

Molecular Properties

Compound Name3-nitro-2-nitrosopyridine
PubChem CID140999580
Molecular FormulaC5H3N3O3
Molecular Weight153.10 g/mol
Exact Mass153.02
IUPAC Name3-nitro-2-nitrosopyridine
SMILESO=Nc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C5H3N3O3/c9-7-5-4(8(10)11)2-1-3-6-5/h1-3H
InChIKeyPKDDXNCRPQWEKD-UHFFFAOYSA-N
XLogP1.39
TPSA85.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-nitro-2-nitrosopyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dinitropyridine;hydrazine
CID 175406944
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
N-methyl-3-nitropyridin-2-amine
CID 556349
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954
CID 175509052
CID 175509052
N-(2-nitrophenyl)-1-pyridin-2-ylmethanimine
CID 13423752
1-[N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperidine-4-carboxamide
CID 100575509
3-nitro-2-prop-1-en-2-ylpyridine
CID 170548751
CID 19910057
CID 19910057
3-(3-nitro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 22003999
methyl 4-[[N'-(3-nitro-2-pyridinyl)carbamimidoyl]amino]benzoate
CID 100574946
ethyl 4-[(E)-N'-(3-nitro-2-pyridinyl)carbamimidoyl]piperazine-1-carboxylate
CID 133185650

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-nitrosopyridine?
The IUPAC name of 3-nitro-2-nitrosopyridine (CID 140999580) is 3-nitro-2-nitrosopyridine.
What is the SMILES notation for 3-nitro-2-nitrosopyridine?
The canonical SMILES for 3-nitro-2-nitrosopyridine is O=Nc1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-2-nitrosopyridine?
The InChIKey is PKDDXNCRPQWEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3O3/c9-7-5-4(8(10)11)2-1-3-6-5/h1-3H.
What are the key properties of 3-nitro-2-nitrosopyridine?
3-nitro-2-nitrosopyridine has a molecular weight of 153.10 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-nitrosopyridine is sourced from PubChem (CID 140999580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).