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

C8H4F2N2O3 — CID 118844314

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

About 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid

4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 118844314) has the molecular formula C8H4F2N2O3 and a molecular weight of 214.13 g/mol. Its IUPAC name is 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID118844314
Molecular FormulaC8H4F2N2O3
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESN#Cc1cc(C(=O)O)[nH]c(=O)c1C(F)F
InChIInChI=1S/C8H4F2N2O3/c9-6(10)5-3(2-11)1-4(8(14)15)12-7(5)13/h1,6H,(H,12,13)(H,14,15)
InChIKeyILXBTBWZWCZKRT-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 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 118844314) is 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is N#Cc1cc(C(=O)O)[nH]c(=O)c1C(F)F.
What is the InChIKey of 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is ILXBTBWZWCZKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O3/c9-6(10)5-3(2-11)1-4(8(14)15)12-7(5)13/h1,6H,(H,12,13)(H,14,15).
What are the key properties of 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
4-cyano-5-(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 4-cyano-5-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 118844314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).