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

C14H11Cl2NO — CID 105102625

IUPAC2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2NO/c1-9-12(3-2-6-17-9)14(18)8-10-7-11(15)4-5-13(10)16/h2-7H,8H2,1H3
InChIKeyLCGLFZAGYVGKIZ-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.12
Rot. Bonds3

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

2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone (PubChem CID 105102625) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
PubChem CID105102625
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone
SMILESCc1ncccc1C(=O)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H11Cl2NO/c1-9-12(3-2-6-17-9)14(18)8-10-7-11(15)4-5-13(10)16/h2-7H,8H2,1H3
InChIKeyLCGLFZAGYVGKIZ-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-(2,5-dichlorophenyl)-1-quinolin-8-ylethanone
CID 105102618
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
2-(2,4-dichlorophenyl)-1-(2-methoxy-3-pyridinyl)ethanone
CID 105088380
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
(4-chloro-2-fluorophenyl)-(2-methyl-3-pyridinyl)methanone
CID 105122735
2-(3,4-dimethylphenyl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105083488
2-(2,5-dichlorophenyl)-1-(1,5-dimethylpyrazol-4-yl)ethanone
CID 105102608
2-(2,5-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 65321217
1-(2-bromo-4-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973882
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)ethanone
CID 65321264
2-(5-ethylthiophen-2-yl)-1-(2-methyl-3-pyridinyl)ethanone
CID 105089353
N-(5-chloro-2-methylphenyl)-2-methylpyridine-3-carboxamide
CID 110859088

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone (CID 105102625) is 2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone is Cc1ncccc1C(=O)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone?
The InChIKey is LCGLFZAGYVGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-9-12(3-2-6-17-9)14(18)8-10-7-11(15)4-5-13(10)16/h2-7H,8H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone?
2-(2,5-dichlorophenyl)-1-(2-methyl-3-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-(2,5-dichlorophenyl)-1-(2-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 105102625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).