2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone

C14H11Cl2NO — CID 62621745

IUPAC2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c1-9-3-2-6-17-14(9)13(18)8-10-4-5-11(15)12(16)7-10/h2-7H,8H2,1H3
InChIKeyORSSNQKYNHUHCI-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.12
Rot. Bonds3

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

2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone (PubChem CID 62621745) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
PubChem CID62621745
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1C(=O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H11Cl2NO/c1-9-3-2-6-17-14(9)13(18)8-10-4-5-11(15)12(16)7-10/h2-7H,8H2,1H3
InChIKeyORSSNQKYNHUHCI-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

2-(3,4-dichlorophenyl)-1-(3,5-dimethyl-2-pyridinyl)ethanone
CID 113365492
2-(3,4-dichlorophenyl)-1-(2,6-dimethylphenyl)ethanone
CID 114026090
2-(5-bromo-3-pyridinyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 104798767
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
2-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63554876
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
2-(3,4-dichlorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 63045615
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
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-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750
2-(3,4-dichlorophenyl)-1-quinolin-4-ylethanone
CID 105089800

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone (CID 62621745) is 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1C(=O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is ORSSNQKYNHUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-9-3-2-6-17-14(9)13(18)8-10-4-5-11(15)12(16)7-10/h2-7H,8H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone?
2-(3,4-dichlorophenyl)-1-(3-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 2-(3,4-dichlorophenyl)-1-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 62621745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).