2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone

C15H13Cl2NO — CID 113365492

IUPAC2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
SMILESCc1cnc(C(=O)Cc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13Cl2NO/c1-9-5-10(2)15(18-8-9)14(19)7-11-3-4-12(16)13(17)6-11/h3-6,8H,7H2,1-2H3
InChIKeyWEKTXRNEJOMHBK-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.43
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone

2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone (PubChem CID 113365492) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
PubChem CID113365492
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
SMILESCc1cnc(C(=O)Cc2ccc(Cl)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13Cl2NO/c1-9-5-10(2)15(18-8-9)14(19)7-11-3-4-12(16)13(17)6-11/h3-6,8H,7H2,1-2H3
InChIKeyWEKTXRNEJOMHBK-UHFFFAOYSA-N
XLogP4.43
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 62621745
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
N-(2-chloro-5-methyl-3-pyridinyl)-2-(3,4-dichlorophenyl)acetamide
CID 102979634
1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-3-methylphenyl)ethanone
CID 160693178
2-(2,5-difluorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365493
2-(3,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanone
CID 63409531
2-(3,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802703
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
2-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63554876

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone (CID 113365492) is 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone is Cc1cnc(C(=O)Cc2ccc(Cl)c(Cl)c2)c(C)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone?
The InChIKey is WEKTXRNEJOMHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-9-5-10(2)15(18-8-9)14(19)7-11-3-4-12(16)13(17)6-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone?
2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone has a molecular weight of 294.18 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone is sourced from PubChem (CID 113365492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).