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

C14H11F2NO — CID 66448501

IUPAC1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(F)c2F)nc1
InChIInChI=1S/C14H11F2NO/c1-9-5-6-10(17-8-9)7-13(18)11-3-2-4-12(15)14(11)16/h2-6,8H,7H2,1H3
InChIKeyXSMRGWFLJDCHRY-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.09
Rot. Bonds3

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

1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 66448501) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID66448501
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2cccc(F)c2F)nc1
InChIInChI=1S/C14H11F2NO/c1-9-5-6-10(17-8-9)7-13(18)11-3-2-4-12(15)14(11)16/h2-6,8H,7H2,1H3
InChIKeyXSMRGWFLJDCHRY-UHFFFAOYSA-N
XLogP3.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448267
1-(2,3-difluorophenyl)-2-(3,5-dimethylphenyl)ethanone
CID 63989422
2-(5-ethyl-2-pyridinyl)-1-(2-fluorophenyl)ethanone
CID 79746106
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461531
N-methyl-2-(5-methyl-2-pyridinyl)acetamide
CID 13400653
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
1,1,1-trifluoro-3-(5-methyl-2-pyridinyl)propan-2-one
CID 15357184
1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66447293
1-(2,3-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447887
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
N-[(2-fluorophenyl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80707816
1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448114

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone (CID 66448501) is 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2cccc(F)c2F)nc1.
What is the InChIKey of 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is XSMRGWFLJDCHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c1-9-5-6-10(17-8-9)7-13(18)11-3-2-4-12(15)14(11)16/h2-6,8H,7H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone?
1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone has a molecular weight of 247.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 66448501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).