2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone

C14H11F2NO — CID 63556118

IUPAC2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C14H11F2NO/c1-9-3-2-4-13(17-9)14(18)8-10-7-11(15)5-6-12(10)16/h2-7H,8H2,1H3
InChIKeyNBPQALFVJQATEG-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.09
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone

2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone (PubChem CID 63556118) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
PubChem CID63556118
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
SMILESCc1cccc(C(=O)Cc2cc(F)ccc2F)n1
InChIInChI=1S/C14H11F2NO/c1-9-3-2-4-13(17-9)14(18)8-10-7-11(15)5-6-12(10)16/h2-7H,8H2,1H3
InChIKeyNBPQALFVJQATEG-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

2-(2,5-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 65321217
2-(3-bromo-4-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63555057
2-(3-fluoro-4-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63553614
2-(3-bromo-5-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 79701083
2-(3,5-dimethylphenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55222118
2-(3-chlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 55221466
(4-fluoro-2-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 63554344
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
1-(6-methyl-2-pyridinyl)-2-(4-propan-2-ylphenyl)ethanone
CID 55221684
2-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)ethanone
CID 63554876
4-methyl-1-(6-methyl-2-pyridinyl)pent-4-en-1-one
CID 114473556
1-(6-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63554522

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone (CID 63556118) is 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone is Cc1cccc(C(=O)Cc2cc(F)ccc2F)n1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is NBPQALFVJQATEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c1-9-3-2-4-13(17-9)14(18)8-10-7-11(15)5-6-12(10)16/h2-7H,8H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone?
2-(2,5-difluorophenyl)-1-(6-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 2-(2,5-difluorophenyl)-1-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 63556118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).