2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one

C12H10N2O3 — CID 119091427

IUPAC2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O3/c1-8-12(11(15)5-6-13-8)9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyVFPSGXNTZMMLQA-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.26
Rot. Bonds2

About 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one

2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one (PubChem CID 119091427) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one
PubChem CID119091427
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H10N2O3/c1-8-12(11(15)5-6-13-8)9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15)
InChIKeyVFPSGXNTZMMLQA-UHFFFAOYSA-N
XLogP2.26
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.26
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-methyl-3-(3-nitrophenyl)-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-amino-4-(3-nitrophenyl)cyclobut-3-ene-1,2-dione
CID 142659202
5,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 139215856
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
CID 141175511
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
CID 158238008
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-methyl-3-nitrobenzene
CID 7422
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037254
4-chloro-2,5-dimethyl-3-(3-nitrophenyl)phenol
CID 91006237
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one (CID 119091427) is 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one?
The InChIKey is VFPSGXNTZMMLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-8-12(11(15)5-6-13-8)9-3-2-4-10(7-9)14(16)17/h2-7H,1H3,(H,13,15).
What are the key properties of 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one?
2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one has a molecular weight of 230.22 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-nitrophenyl)-1H-pyridin-4-one is sourced from PubChem (CID 119091427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).