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

C14H12ClNO — CID 11043024

IUPAC1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H12ClNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyOODTXAUEVYFZLU-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.91
Rot. Bonds2

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

1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone (PubChem CID 11043024) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
PubChem CID11043024
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C14H12ClNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3
InChIKeyOODTXAUEVYFZLU-UHFFFAOYSA-N
XLogP3.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[6-(4-chlorophenyl)-2-methyl-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-methylpyridine-3-carbohydrazide
CID 53433276
1-(4-chlorophenyl)-3-[[6-(4-methoxyphenyl)-2-methylpyridine-3-carbonyl]amino]urea
CID 155526516
1-[4-(4-chlorophenyl)-2-methyl-6-phenyl-3-pyridinyl]ethanone
CID 11450091
ethyl 6-(4-chlorophenyl)-2-ethylpyridine-3-carboxylate
CID 116532919
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
sodium 6-(4-methoxyphenyl)-2-methylpyridine-3-carboxylate
CID 155928034
2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide
CID 44890736
6-(4-chlorophenyl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-methylpyridine-3-carboxamide
CID 134815918
2-methyl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbohydrazide
CID 82453181
[2-amino-6-(4-chlorophenyl)-3-pyridinyl]-phenylmethanone
CID 12782045

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone (CID 11043024) is 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone?
The InChIKey is OODTXAUEVYFZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-9-13(10(2)17)7-8-14(16-9)11-3-5-12(15)6-4-11/h3-8H,1-2H3.
What are the key properties of 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone?
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone has a molecular weight of 245.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone is sourced from PubChem (CID 11043024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).