1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone

C20H16ClNO — CID 11450091

IUPAC1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1C
InChIInChI=1S/C20H16ClNO/c1-13-20(14(2)23)18(15-8-10-17(21)11-9-15)12-19(22-13)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyBYDYTJUDQNAIKW-UHFFFAOYSA-N
MW321.81 g/mol
LogP5.58
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone

1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone (PubChem CID 11450091) has the molecular formula C20H16ClNO and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
PubChem CID11450091
Molecular FormulaC20H16ClNO
Molecular Weight321.81 g/mol
Exact Mass321.09
IUPAC Name1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1C
InChIInChI=1S/C20H16ClNO/c1-13-20(14(2)23)18(15-8-10-17(21)11-9-15)12-19(22-13)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyBYDYTJUDQNAIKW-UHFFFAOYSA-N
XLogP5.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.81
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone 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

6-(4-chlorophenyl)-2-methyl-4-phenylpyridine-3-carboxamide
CID 10426313
methyl 5-acetyl-6-methyl-4-phenylpyridine-2-carboxylate
CID 102410586
6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 121205087
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
CID 11043024
2,4-bis(4-chlorophenyl)-6-phenylpyridine
CID 3640020
ethyl 4-(4-chlorophenyl)-2-(cyclohexylamino)-6-phenylpyridine-3-carboxylate
CID 53359332
1-(4,6-dichloro-2-methylquinolin-3-yl)ethanone
CID 139937864
N-[2-(dimethylamino)ethyl]-2-methyl-4-(4-nitrophenyl)-6-phenylpyridine-3-carboxamide
CID 10092620
ethyl 6-(2-fluorophenyl)-2-methyl-4-phenylpyridine-3-carboxylate
CID 132563026
4-(4-methylphenyl)-2-methylsulfanyl-6-phenylpyridine-3-carboxamide
CID 629079
6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
CID 624641
4-chloro-2-(4-chlorophenyl)-6-phenylpyrimidine
CID 582047

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone (CID 11450091) is 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone is CC(=O)c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1C.
What is the InChIKey of 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone?
The InChIKey is BYDYTJUDQNAIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO/c1-13-20(14(2)23)18(15-8-10-17(21)11-9-15)12-19(22-13)16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone?
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone has a molecular weight of 321.81 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone is sourced from PubChem (CID 11450091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).