4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile

C13H9ClN2O — CID 82118172

IUPAC4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c[nH]c(=O)c(C#N)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2O/c1-8-7-16-13(17)11(6-15)12(8)9-3-2-4-10(14)5-9/h2-5,7H,1H3,(H,16,17)
InChIKeyMHAGFRPJWFYQRU-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.88
Rot. Bonds1

About 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 82118172) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID82118172
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1c[nH]c(=O)c(C#N)c1-c1cccc(Cl)c1
InChIInChI=1S/C13H9ClN2O/c1-8-7-16-13(17)11(6-15)12(8)9-3-2-4-10(14)5-9/h2-5,7H,1H3,(H,16,17)
InChIKeyMHAGFRPJWFYQRU-UHFFFAOYSA-N
XLogP2.88
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3-chlorophenyl)-5-methyl-2-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

5-methyl-2-oxo-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 82113760
4-(3-chlorophenyl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
CID 19656382
4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
CID 82118171
2-amino-6-(3-chlorophenyl)-4-(3-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322466
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
2-amino-6-(3-chlorophenyl)-4-(2-methoxyphenyl)-5-methylpyridine-3-carbonitrile
CID 3322467
4-(3-methoxyphenyl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135518067
2-amino-6-(3-chlorophenyl)-4-(2,6-dichlorophenyl)-5-methylpyridine-3-carbonitrile
CID 3328152
2-amino-6-(3-chlorophenyl)-5-methyl-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 3324008
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
methyl 3-(3,5-dicyano-2-oxo-6-sulfanyl-1H-pyridin-4-yl)benzoate
CID 176980550
2-(3-chlorophenyl)-1H-pyridin-4-one
CID 53229265

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 82118172) is 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1c[nH]c(=O)c(C#N)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MHAGFRPJWFYQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-8-7-16-13(17)11(6-15)12(8)9-3-2-4-10(14)5-9/h2-5,7H,1H3,(H,16,17).
What are the key properties of 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 244.68 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-5-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 82118172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).