2-nitro-4-oxo-1H-pyridine-3-carbonitrile

C6H3N3O3 — CID 118810429

IUPAC2-nitro-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c([N+](=O)[O-])[nH]ccc1=O
InChIInChI=1S/C6H3N3O3/c7-3-4-5(10)1-2-8-6(4)9(11)12/h1-2H,(H,8,10)
InChIKeyRHMXXNWAYGBGCI-UHFFFAOYSA-N
MW165.11 g/mol
LogP0.15
Rot. Bonds1

About 2-nitro-4-oxo-1H-pyridine-3-carbonitrile

2-nitro-4-oxo-1H-pyridine-3-carbonitrile (PubChem CID 118810429) has the molecular formula C6H3N3O3 and a molecular weight of 165.11 g/mol. Its IUPAC name is 2-nitro-4-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-nitro-4-oxo-1H-pyridine-3-carbonitrile
PubChem CID118810429
Molecular FormulaC6H3N3O3
Molecular Weight165.11 g/mol
Exact Mass165.02
IUPAC Name2-nitro-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c([N+](=O)[O-])[nH]ccc1=O
InChIInChI=1S/C6H3N3O3/c7-3-4-5(10)1-2-8-6(4)9(11)12/h1-2H,(H,8,10)
InChIKeyRHMXXNWAYGBGCI-UHFFFAOYSA-N
XLogP0.15
TPSA99.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-nitro-4-oxo-1H-pyridine-3-carbonitrile 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-nitro-4-sulfanylidene-1H-pyridine-3-carbonitrile
CID 130951459
2-amino-4-oxo-1H-pyridine-3-carbonitrile
CID 22020907
4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 141481736
2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridine-3-carbonitrile
CID 130076532
ethyl 2-(2-nitro-4-oxo-1H-pyridin-3-yl)acetate
CID 133096728
2-(3-nitro-2-oxo-1H-pyridin-4-yl)acetonitrile
CID 130870239
3-acetyl-6-iodo-2-nitrobenzonitrile
CID 131305969
4-(difluoromethyl)-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 130076538
2-(2-nitro-6-oxo-1H-pyridin-3-yl)acetonitrile
CID 130784527
7-chloro-4-oxo-1H-quinoline-6-carbonitrile
CID 53418906
3-methyl-2-[2-(4-nitrophenyl)ethyl]-1H-pyridin-4-one
CID 154458035
3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 119017841

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-nitro-4-oxo-1H-pyridine-3-carbonitrile (CID 118810429) is 2-nitro-4-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-nitro-4-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-nitro-4-oxo-1H-pyridine-3-carbonitrile is N#Cc1c([N+](=O)[O-])[nH]ccc1=O.
What is the InChIKey of 2-nitro-4-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is RHMXXNWAYGBGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O3/c7-3-4-5(10)1-2-8-6(4)9(11)12/h1-2H,(H,8,10).
What are the key properties of 2-nitro-4-oxo-1H-pyridine-3-carbonitrile?
2-nitro-4-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 165.11 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 118810429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).