1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone

C14H11Cl2NO — CID 66448114

IUPAC1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C14H11Cl2NO/c1-9-2-3-13(17-8-9)7-14(18)10-4-11(15)6-12(16)5-10/h2-6,8H,7H2,1H3
InChIKeyIDCGHZIACVDDHQ-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.12
Rot. Bonds3

About 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone

1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 66448114) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID66448114
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Cl)cc(Cl)c2)nc1
InChIInChI=1S/C14H11Cl2NO/c1-9-2-3-13(17-8-9)7-14(18)10-4-11(15)6-12(16)5-10/h2-6,8H,7H2,1H3
InChIKeyIDCGHZIACVDDHQ-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-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66447293
1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 81471898
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
3,5-dichloro-N-(5-methyl-2-pyridinyl)benzamide
CID 5063171
N-methyl-2-(5-methyl-2-pyridinyl)acetamide
CID 13400653
1,1,1-trifluoro-3-(5-methyl-2-pyridinyl)propan-2-one
CID 15357184
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone
CID 158795728
1-(5-methyl-1-benzofuran-2-yl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448685
1-(3-chloro-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81323958
3,4-dimethyl-1-(5-methyl-2-pyridinyl)pentan-2-one
CID 66448497
1-(3-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448267

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone (CID 66448114) is 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cc(Cl)cc(Cl)c2)nc1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is IDCGHZIACVDDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-9-2-3-13(17-8-9)7-14(18)10-4-11(15)6-12(16)5-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
1-(3,5-dichlorophenyl)-2-(5-methyl-2-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-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 66448114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).