4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

C15H13ClN2O — CID 94282088

IUPAC4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)n1ccc(-c2ccccc2Cl)c(C#N)c1=O
InChIInChI=1S/C15H13ClN2O/c1-10(2)18-8-7-11(13(9-17)15(18)19)12-5-3-4-6-14(12)16/h3-8,10H,1-2H3
InChIKeyDAGJBDWRLCXJGE-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.62
Rot. Bonds2

About 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile

4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (PubChem CID 94282088) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
PubChem CID94282088
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)n1ccc(-c2ccccc2Cl)c(C#N)c1=O
InChIInChI=1S/C15H13ClN2O/c1-10(2)18-8-7-11(13(9-17)15(18)19)12-5-3-4-6-14(12)16/h3-8,10H,1-2H3
InChIKeyDAGJBDWRLCXJGE-UHFFFAOYSA-N
XLogP3.62
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-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

3-(2-chlorophenyl)-1-propan-2-ylpyrrole-2-carboxylic acid
CID 117222652
4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonitrile
CID 82117080
4-(2-chlorophenyl)-2-methylpyridine-3-carbonitrile
CID 122449325
5-(2-chlorophenyl)-3-methylbenzimidazole-4-carbonitrile
CID 11543555
4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 82111825
1-(3-methylbutyl)-2-oxo-4-phenylpyridine-3-carbonitrile
CID 66612837
2-amino-4-chloro-3-(2-chlorophenyl)-6-propan-2-yloxybenzonitrile
CID 175129041
4-(3-chlorophenyl)-1-methyl-2-oxopyridine-3-carbonitrile
CID 82118171
1-benzyl-2-oxo-7-propan-2-ylcyclohepta[b]pyrrole-3-carbonitrile
CID 10425007
4-[5-chloro-3-(2-chlorophenyl)-1-ethyl-6-oxo-2-pyridinyl]-3,5-difluorobenzonitrile
CID 142452779
4-(2-chlorophenyl)-6-(2,4-dimethylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656970
1-fluoro-4-propan-2-ylbenzene;methane;2-oxo-1-propan-2-ylpyridine-3-carbonitrile;yttrium
CID 159494156

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile (CID 94282088) is 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is CC(C)n1ccc(-c2ccccc2Cl)c(C#N)c1=O.
What is the InChIKey of 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is DAGJBDWRLCXJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-10(2)18-8-7-11(13(9-17)15(18)19)12-5-3-4-6-14(12)16/h3-8,10H,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile?
4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 94282088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).