2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile

C8H6F2N2O — CID 130097132

IUPAC2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H6F2N2O/c9-7(10)6-5(1-3-11)2-4-12-8(6)13/h2,4,7H,1H2,(H,12,13)
InChIKeyMBGWGWPTMWXWNQ-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.38
Rot. Bonds2

About 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile

2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile (PubChem CID 130097132) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
PubChem CID130097132
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H6F2N2O/c9-7(10)6-5(1-3-11)2-4-12-8(6)13/h2,4,7H,1H2,(H,12,13)
InChIKeyMBGWGWPTMWXWNQ-UHFFFAOYSA-N
XLogP1.38
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-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

5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 118822034
2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869900
2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083854
2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869901
methyl 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 133093220
2-(3-nitro-2-oxo-1H-pyridin-4-yl)acetonitrile
CID 130870239
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383
3-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 119017841
2-[2-oxo-3-(2,4,6-trichlorophenyl)-1H-pyridin-4-yl]acetonitrile
CID 133092382
2-[4-(difluoromethyl)-5-hydroxy-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 118852469
2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetonitrile
CID 118993938
2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile
CID 118852879

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile (CID 130097132) is 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile is N#CCc1cc[nH]c(=O)c1C(F)F.
What is the InChIKey of 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The InChIKey is MBGWGWPTMWXWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-7(10)6-5(1-3-11)2-4-12-8(6)13/h2,4,7H,1H2,(H,12,13).
What are the key properties of 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile is sourced from PubChem (CID 130097132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).