2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile

C9H5F2N3O — CID 130076765

IUPAC2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#CCc1[nH]cc(C(F)F)c(=O)c1C#N
InChIInChI=1S/C9H5F2N3O/c10-9(11)6-4-14-7(1-2-12)5(3-13)8(6)15/h4,9H,1H2,(H,14,15)
InChIKeyPZCVCEUJBQZGCT-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.25
Rot. Bonds2

About 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile

2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076765) has the molecular formula C9H5F2N3O and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076765
Molecular FormulaC9H5F2N3O
Molecular Weight209.16 g/mol
Exact Mass209.04
IUPAC Name2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
SMILESN#CCc1[nH]cc(C(F)F)c(=O)c1C#N
InChIInChI=1S/C9H5F2N3O/c10-9(11)6-4-14-7(1-2-12)5(3-13)8(6)15/h4,9H,1H2,(H,14,15)
InChIKeyPZCVCEUJBQZGCT-UHFFFAOYSA-N
XLogP1.25
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile 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-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846
2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130083845
2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 133102528
ethyl 2-[3-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 134684068
2-[5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130079563
5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 119023722
2-[5-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084750
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 130103221
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859
5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 118822034
2-[5-(difluoromethyl)-4-nitro-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084357
2-[5-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetonitrile
CID 133102304

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile (CID 130076765) is 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile is N#CCc1[nH]cc(C(F)F)c(=O)c1C#N.
What is the InChIKey of 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is PZCVCEUJBQZGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2N3O/c10-9(11)6-4-14-7(1-2-12)5(3-13)8(6)15/h4,9H,1H2,(H,14,15).
What are the key properties of 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile?
2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 209.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).