5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile

C8H6F2N2O2 — CID 130076809

IUPAC5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(=O)[nH]c1CO
InChIInChI=1S/C8H6F2N2O2/c9-7(10)5-1-4(2-11)6(3-13)12-8(5)14/h1,7,13H,3H2,(H,12,14)
InChIKeyZUPDAQMMTLTQIB-UHFFFAOYSA-N
MW200.14 g/mol
LogP0.68
Rot. Bonds2

About 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile

5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130076809) has the molecular formula C8H6F2N2O2 and a molecular weight of 200.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID130076809
Molecular FormulaC8H6F2N2O2
Molecular Weight200.14 g/mol
Exact Mass200.04
IUPAC Name5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(=O)[nH]c1CO
InChIInChI=1S/C8H6F2N2O2/c9-7(10)5-1-4(2-11)6(3-13)12-8(5)14/h1,7,13H,3H2,(H,12,14)
InChIKeyZUPDAQMMTLTQIB-UHFFFAOYSA-N
XLogP0.68
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.14
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(difluoromethyl)-2-(hydroxymethyl)-6-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

methyl 2-[3-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134684975
5-amino-3-(difluoromethyl)-6-(hydroxymethyl)-1H-pyridin-2-one
CID 130104849
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 118815822
2-[5-(difluoromethyl)-2-nitro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084342
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
CID 130078702
2-[5-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130110337
6-(difluoromethyl)-5-iodo-2-oxo-1H-pyridine-3-carbonitrile
CID 130076426
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile
CID 130076475
5-(2-bromo-1-hydroxypropyl)-6-ethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 57036268
2-[5-(bromomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084748
6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 130085050
methyl 2-[4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 134685667

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile (CID 130076809) is 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1cc(C(F)F)c(=O)[nH]c1CO.
What is the InChIKey of 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZUPDAQMMTLTQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O2/c9-7(10)5-1-4(2-11)6(3-13)12-8(5)14/h1,7,13H,3H2,(H,12,14).
What are the key properties of 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile?
5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 200.14 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130076809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).