1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one

C14H11F2NO — CID 62622512

IUPAC1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)Cc1cccc(F)c1F
InChIInChI=1S/C14H11F2NO/c15-13-3-1-2-11(14(13)16)9-12(18)8-10-4-6-17-7-5-10/h1-7H,8-9H2
InChIKeySFMFFYCVNJPFMS-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.71
Rot. Bonds4

About 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one

1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one (PubChem CID 62622512) has the molecular formula C14H11F2NO and a molecular weight of 247.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
PubChem CID62622512
Molecular FormulaC14H11F2NO
Molecular Weight247.24 g/mol
Exact Mass247.08
IUPAC Name1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one
SMILESO=C(Cc1ccncc1)Cc1cccc(F)c1F
InChIInChI=1S/C14H11F2NO/c15-13-3-1-2-11(14(13)16)9-12(18)8-10-4-6-17-7-5-10/h1-7H,8-9H2
InChIKeySFMFFYCVNJPFMS-UHFFFAOYSA-N
XLogP2.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-difluorophenyl)-3-(3,5-dimethylphenyl)propan-2-one
CID 62620288
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750
4-amino-1-(2,3-difluorophenyl)butan-2-one
CID 116550836
1-(2-bromophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551928
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)propan-2-one
CID 82801940
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
2-(2,3-difluorophenyl)-1-(3-pyridin-4-ylazetidin-1-yl)ethanone
CID 56911803
1-(2,3-difluorophenyl)-5,5,5-trifluoropentan-2-one
CID 79955039
methyl 4-(2,3-difluorophenyl)-3-oxobutanoate
CID 45156338
5-chloro-1-(2,3-difluorophenyl)pentan-2-one
CID 66044922
1-(2-chloro-4-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-one
CID 63034230

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one?
The IUPAC name of 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one (CID 62622512) is 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one is O=C(Cc1ccncc1)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one?
The InChIKey is SFMFFYCVNJPFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO/c15-13-3-1-2-11(14(13)16)9-12(18)8-10-4-6-17-7-5-10/h1-7H,8-9H2.
What are the key properties of 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one?
1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one has a molecular weight of 247.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-3-pyridin-4-ylpropan-2-one is sourced from PubChem (CID 62622512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).