2-nitro-1H-pyridin-4-one

C5H4N2O3 — CID 2762849

IUPAC2-nitro-1H-pyridin-4-one
SMILESO=c1cc[nH]c([N+](=O)[O-])c1
InChIInChI=1S/C5H4N2O3/c8-4-1-2-6-5(3-4)7(9)10/h1-3H,(H,6,8)
InChIKeyNJTUZNXKDOUPHP-UHFFFAOYSA-N
MW140.10 g/mol
LogP0.28
Rot. Bonds1

About 2-nitro-1H-pyridin-4-one

2-nitro-1H-pyridin-4-one (PubChem CID 2762849) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is 2-nitro-1H-pyridin-4-one.

Molecular Properties

Compound Name2-nitro-1H-pyridin-4-one
PubChem CID2762849
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name2-nitro-1H-pyridin-4-one
SMILESO=c1cc[nH]c([N+](=O)[O-])c1
InChIInChI=1S/C5H4N2O3/c8-4-1-2-6-5(3-4)7(9)10/h1-3H,(H,6,8)
InChIKeyNJTUZNXKDOUPHP-UHFFFAOYSA-N
XLogP0.28
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-nitro-1H-pyridin-4-one 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

3-Nitro-1,4-dihydropyridin-4-one
CID 228506
2-Aminopyridin-4-ol
CID 820936
4-Hydroxypyridine nitrate
CID 12255329
Hydroxy-dinitro pyridine
CID 129676315
3-(difluoromethyl)-2-nitro-1H-pyridin-4-one
CID 130097002
3-fluoro-2-nitro-1H-pyridin-4-one
CID 130769358
5-Fluoro-2-nitropyridin-4-ol
CID 130981609
2-Amino-4-hydroxy-3-nitropyridine
CID 19034904
2-Amino-4-hydroxy-5-nitropyridine
CID 19034934
3-amino-2-nitro-1H-pyridin-4-one
CID 19034955
3-Nitrosopyridin-4(1H)-one
CID 45079783
3-Methyl-2-nitropyridin-4-ol
CID 130898113

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1H-pyridin-4-one?
The IUPAC name of 2-nitro-1H-pyridin-4-one (CID 2762849) is 2-nitro-1H-pyridin-4-one.
What is the SMILES notation for 2-nitro-1H-pyridin-4-one?
The canonical SMILES for 2-nitro-1H-pyridin-4-one is O=c1cc[nH]c([N+](=O)[O-])c1.
What is the InChIKey of 2-nitro-1H-pyridin-4-one?
The InChIKey is NJTUZNXKDOUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3/c8-4-1-2-6-5(3-4)7(9)10/h1-3H,(H,6,8).
What are the key properties of 2-nitro-1H-pyridin-4-one?
2-nitro-1H-pyridin-4-one has a molecular weight of 140.10 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1H-pyridin-4-one is sourced from PubChem (CID 2762849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).