1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone

C13H9F2NO — CID 62800700

IUPAC1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F2NO/c14-11-4-3-10(7-12(11)15)13(17)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2
InChIKeyWMPHLKJXNFURNV-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.79
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone

1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone (PubChem CID 62800700) has the molecular formula C13H9F2NO and a molecular weight of 233.22 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
PubChem CID62800700
Molecular FormulaC13H9F2NO
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1ccc(F)c(F)c1
InChIInChI=1S/C13H9F2NO/c14-11-4-3-10(7-12(11)15)13(17)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2
InChIKeyWMPHLKJXNFURNV-UHFFFAOYSA-N
XLogP2.79
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
2-(3-fluorophenyl)-1-pyridin-3-ylethanone
CID 60797988
1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 116832929
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
6-(2-pyridin-3-ylacetyl)-1H-quinolin-2-one
CID 19854669
1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
CID 115799235
1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
CID 106847990

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone (CID 62800700) is 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone?
The InChIKey is WMPHLKJXNFURNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2NO/c14-11-4-3-10(7-12(11)15)13(17)6-9-2-1-5-16-8-9/h1-5,7-8H,6H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone?
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone has a molecular weight of 233.22 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 62800700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).