2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

C8H5ClF2N2O — CID 130072565

IUPAC2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]c(=O)cc(C(F)F)c1Cl
InChIInChI=1S/C8H5ClF2N2O/c9-7-4(8(10)11)3-6(14)13-5(7)1-2-12/h3,8H,1H2,(H,13,14)
InChIKeyZNKXLNFGVKBEPE-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.03
Rot. Bonds2

About 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 130072565) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID130072565
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1[nH]c(=O)cc(C(F)F)c1Cl
InChIInChI=1S/C8H5ClF2N2O/c9-7-4(8(10)11)3-6(14)13-5(7)1-2-12/h3,8H,1H2,(H,13,14)
InChIKeyZNKXLNFGVKBEPE-UHFFFAOYSA-N
XLogP2.03
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-4-(difluoromethyl)-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-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118835128
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773
2-[4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118834226
5-chloro-4-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 130072325
2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130110337
2-[3-(difluoromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134660016
2-[5-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084748
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
5-bromo-6-(chloromethyl)-4-(difluoromethyl)-1H-pyridin-2-one
CID 130110248
2-[3-chloro-6-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130072580
2-[4-(difluoromethyl)-5-nitro-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 118840092
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)-1H-pyridin-2-one
CID 118849612

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (CID 130072565) is 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is N#CCc1[nH]c(=O)cc(C(F)F)c1Cl.
What is the InChIKey of 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is ZNKXLNFGVKBEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-7-4(8(10)11)3-6(14)13-5(7)1-2-12/h3,8H,1H2,(H,13,14).
What are the key properties of 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile has a molecular weight of 218.59 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 130072565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).