2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone

C15H14ClNO — CID 106867165

IUPAC2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cnccc2C)c(Cl)c1
InChIInChI=1S/C15H14ClNO/c1-10-3-4-12(14(16)7-10)8-15(18)13-9-17-6-5-11(13)2/h3-7,9H,8H2,1-2H3
InChIKeyPSRWNCUIOIVZKC-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.78
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone

2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 106867165) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
PubChem CID106867165
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cnccc2C)c(Cl)c1
InChIInChI=1S/C15H14ClNO/c1-10-3-4-12(14(16)7-10)8-15(18)13-9-17-6-5-11(13)2/h3-7,9H,8H2,1-2H3
InChIKeyPSRWNCUIOIVZKC-UHFFFAOYSA-N
XLogP3.78
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 106865544
2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethanone
CID 106866928
2-(5-chloro-2-methoxyphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877516
1-(5-bromo-2-chlorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865270
1-(5-chloro-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanone
CID 106865288
2-(4-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanone
CID 114877646
2-(2-chloro-4-methylphenyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 106865501
2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone
CID 66271398
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655327
1-(4-bromo-3,5-dimethylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 114329680
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
3-[2-(3-chloro-4-pyridinyl)-2-oxoethyl]-5-methyl-1H-pyridin-2-one
CID 58148183

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone (CID 106867165) is 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cnccc2C)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is PSRWNCUIOIVZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-10-3-4-12(14(16)7-10)8-15(18)13-9-17-6-5-11(13)2/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone?
2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 259.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 106867165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).