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

C8H4F2N2O3 — CID 130076891

IUPAC5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESN#Cc1cc(C(F)F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C8H4F2N2O3/c9-6(10)4-1-3(2-11)7(13)12-5(4)8(14)15/h1,6H,(H,12,13)(H,14,15)
InChIKeySFBPJDLGRTZESY-UHFFFAOYSA-N
MW214.13 g/mol
LogP0.88
Rot. Bonds2

About 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid

5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130076891) has the molecular formula C8H4F2N2O3 and a molecular weight of 214.13 g/mol. Its IUPAC name is 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130076891
Molecular FormulaC8H4F2N2O3
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESN#Cc1cc(C(F)F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C8H4F2N2O3/c9-6(10)4-1-3(2-11)7(13)12-5(4)8(14)15/h1,6H,(H,12,13)(H,14,15)
InChIKeySFBPJDLGRTZESY-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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Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 130076891) is 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is N#Cc1cc(C(F)F)c(C(=O)O)[nH]c1=O.
What is the InChIKey of 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is SFBPJDLGRTZESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O3/c9-6(10)4-1-3(2-11)7(13)12-5(4)8(14)15/h1,6H,(H,12,13)(H,14,15).
What are the key properties of 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-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 5-cyano-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130076891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).