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

C7H6F2N2O3 — CID 130104925

IUPAC3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H6F2N2O3/c8-6(9)2-1-3(12)4(10)5(11-2)7(13)14/h1,6H,10H2,(H,11,12)(H,13,14)
InChIKeyIGIQPPGMJWJAAE-UHFFFAOYSA-N
MW204.13 g/mol
LogP0.59
Rot. Bonds2

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

3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130104925) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130104925
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C7H6F2N2O3/c8-6(9)2-1-3(12)4(10)5(11-2)7(13)14/h1,6H,10H2,(H,11,12)(H,13,14)
InChIKeyIGIQPPGMJWJAAE-UHFFFAOYSA-N
XLogP0.59
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Chelidamic Acid
CID 8743
4-Oxo-1,4-dihydropyridine-2,6-dicarboxylic acid hydrate
CID 12302905
6-Methyl-4-oxo-1,4-dihydropyridine-2-carboxylic acid
CID 71299974
4-Hydroxy-6-(trifluoromethyl)picolinic acid
CID 72213990
6-Fluoro-4-hydroxypicolinic acid
CID 72215565
Ammonium 4-hydroxy-6-(trifluoromethyl)pyridine-2-carboxylate
CID 75529760
2-(hydroxymethyl)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 118799122
2-(Difluoromethyl)-4-hydroxy-3-nitropyridine-6-carboxylic acid
CID 118809275
2-(Difluoromethyl)-4-hydroxy-3-(trifluoromethyl)pyridine-6-carboxylic acid
CID 118809449
2-(Difluoromethyl)-4-hydroxy-3-methylpyridine-6-carboxylic acid
CID 118814726
2-(Difluoromethyl)-4-hydroxypyridine-6-carboxylic acid
CID 118826140
2-(Difluoromethyl)-4-hydroxypyridine-6-methanol
CID 118837282

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid (CID 130104925) is 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid is Nc1c(C(=O)O)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is IGIQPPGMJWJAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-6(9)2-1-3(12)4(10)5(11-2)7(13)14/h1,6H,10H2,(H,11,12)(H,13,14).
What are the key properties of 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid?
3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 204.13 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130104925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).