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

C14H11Cl2NO — CID 112655327

IUPAC1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccncc2Cl)c1Cl
InChIInChI=1S/C14H11Cl2NO/c1-9-3-2-4-11(14(9)16)13(18)7-10-5-6-17-8-12(10)15/h2-6,8H,7H2,1H3
InChIKeySLIISWQOCMMLMY-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.12
Rot. Bonds3

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

1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone (PubChem CID 112655327) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
PubChem CID112655327
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2ccncc2Cl)c1Cl
InChIInChI=1S/C14H11Cl2NO/c1-9-3-2-4-11(14(9)16)13(18)7-10-5-6-17-8-12(10)15/h2-6,8H,7H2,1H3
InChIKeySLIISWQOCMMLMY-UHFFFAOYSA-N
XLogP4.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 116604299
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
1-(2-chloro-3-methylphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792581
2-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)ethanone
CID 115533419
2-[2-(3-methyl-4-pyridinyl)acetyl]benzoic acid
CID 148915032
1-(4-bromo-3,5-dimethylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 114329680
1-(2-chloro-3-methylphenyl)-2-(1,3-thiazol-2-yl)ethanone
CID 115786506
2-(3-chloro-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 112655384
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
(3-chloro-4-pyridinyl)-(2,3-dimethylphenyl)methanone
CID 105093856
2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 106867165

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone (CID 112655327) is 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone is Cc1cccc(C(=O)Cc2ccncc2Cl)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone?
The InChIKey is SLIISWQOCMMLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-9-3-2-4-11(14(9)16)13(18)7-10-5-6-17-8-12(10)15/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone?
1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone has a molecular weight of 280.15 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone is sourced from PubChem (CID 112655327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).