2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

C13H8F2N2O — CID 133094154

IUPAC2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]c(=O)ccc1-c1cccc(F)c1F
InChIInChI=1S/C13H8F2N2O/c14-10-3-1-2-9(13(10)15)8-4-5-12(18)17-11(8)6-7-16/h1-5H,6H2,(H,17,18)
InChIKeyJMPUWWIOINKCOO-UHFFFAOYSA-N
MW246.22 g/mol
LogP2.39
Rot. Bonds2

About 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 133094154) has the molecular formula C13H8F2N2O and a molecular weight of 246.22 g/mol. Its IUPAC name is 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID133094154
Molecular FormulaC13H8F2N2O
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]c(=O)ccc1-c1cccc(F)c1F
InChIInChI=1S/C13H8F2N2O/c14-10-3-1-2-9(13(10)15)8-4-5-12(18)17-11(8)6-7-16/h1-5H,6H2,(H,17,18)
InChIKeyJMPUWWIOINKCOO-UHFFFAOYSA-N
XLogP2.39
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile 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

2-[4-(2,3-difluorophenyl)-3-fluorophenyl]acetonitrile
CID 119005603
5-(2,3-difluorophenyl)-6-oxo-1H-pyridine-2-carbaldehyde
CID 133091494
4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118852455
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 136769233
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130072565
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
2-[4-(2,3-difluorophenyl)-2-methoxyphenyl]acetonitrile
CID 175670200
2-(2-nitro-6-oxo-1H-pyridin-3-yl)acetonitrile
CID 130784527
1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene
CID 67429755
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056
2,6-bis(2,3-difluorophenyl)-4-fluoropyridine
CID 133088897

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (CID 133094154) is 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is N#CCc1[nH]c(=O)ccc1-c1cccc(F)c1F.
What is the InChIKey of 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is JMPUWWIOINKCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2O/c14-10-3-1-2-9(13(10)15)8-4-5-12(18)17-11(8)6-7-16/h1-5H,6H2,(H,17,18).
What are the key properties of 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile has a molecular weight of 246.22 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-difluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 133094154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).