1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one

C15H13F2NO — CID 135036486

IUPAC1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one
SMILESCc1cccc(CC(=O)Cc2ccc(F)cc2F)n1
InChIInChI=1S/C15H13F2NO/c1-10-3-2-4-13(18-10)9-14(19)7-11-5-6-12(16)8-15(11)17/h2-6,8H,7,9H2,1H3
InChIKeyFGGQLMRHHRQQMP-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.02
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one

1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one (PubChem CID 135036486) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one
PubChem CID135036486
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one
SMILESCc1cccc(CC(=O)Cc2ccc(F)cc2F)n1
InChIInChI=1S/C15H13F2NO/c1-10-3-2-4-13(18-10)9-14(19)7-11-5-6-12(16)8-15(11)17/h2-6,8H,7,9H2,1H3
InChIKeyFGGQLMRHHRQQMP-UHFFFAOYSA-N
XLogP3.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one (CID 135036486) is 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one is Cc1cccc(CC(=O)Cc2ccc(F)cc2F)n1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one?
The InChIKey is FGGQLMRHHRQQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-10-3-2-4-13(18-10)9-14(19)7-11-5-6-12(16)8-15(11)17/h2-6,8H,7,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one?
1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one has a molecular weight of 261.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-(6-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 135036486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).