4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid

C8H4F2N2O3 — CID 118811331

IUPAC4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESN#Cc1cc(=O)[nH]c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H4F2N2O3/c9-7(10)6-5(8(14)15)3(2-11)1-4(13)12-6/h1,7H,(H,12,13)(H,14,15)
InChIKeyFOBKOBYKGSXKAJ-UHFFFAOYSA-N
MW214.13 g/mol
LogP0.88
Rot. Bonds2

About 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid

4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118811331) has the molecular formula C8H4F2N2O3 and a molecular weight of 214.13 g/mol. Its IUPAC name is 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118811331
Molecular FormulaC8H4F2N2O3
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
SMILESN#Cc1cc(=O)[nH]c(C(F)F)c1C(=O)O
InChIInChI=1S/C8H4F2N2O3/c9-7(10)6-5(8(14)15)3(2-11)1-4(13)12-6/h1,7H,(H,12,13)(H,14,15)
InChIKeyFOBKOBYKGSXKAJ-UHFFFAOYSA-N
XLogP0.88
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
3-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130076467
4-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118810925
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119010938
methyl 2-(difluoromethyl)-4-methyl-6-oxo-1H-pyridine-3-carboxylate
CID 130083978
2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118993248
2-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076708
ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133093404
5-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130070948

Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid (CID 118811331) is 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid is N#Cc1cc(=O)[nH]c(C(F)F)c1C(=O)O.
What is the InChIKey of 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is FOBKOBYKGSXKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O3/c9-7(10)6-5(8(14)15)3(2-11)1-4(13)12-6/h1,7H,(H,12,13)(H,14,15).
What are the key properties of 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid?
4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 214.13 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118811331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).