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

C7H6F2N2O3 — CID 118806514

IUPAC4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESNc1cc(=O)[nH]c(C(=O)O)c1C(F)F
InChIInChI=1S/C7H6F2N2O3/c8-6(9)4-2(10)1-3(12)11-5(4)7(13)14/h1,6H,(H,13,14)(H3,10,11,12)
InChIKeyXLUDBDVXAFWQCW-UHFFFAOYSA-N
MW204.13 g/mol
LogP0.59
Rot. Bonds2

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

4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 118806514) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID118806514
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESNc1cc(=O)[nH]c(C(=O)O)c1C(F)F
InChIInChI=1S/C7H6F2N2O3/c8-6(9)4-2(10)1-3(12)11-5(4)7(13)14/h1,6H,(H,13,14)(H3,10,11,12)
InChIKeyXLUDBDVXAFWQCW-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

6-Hydroxy-4-methylpyridine-2-carboxylic acid
CID 820395
6-Hydroxy-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 72215673
6-Oxo-5-(trifluoromethyl)-1,6-dihydropyridine-2-carboxylic acid
CID 105459803
6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84722345
5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84724930
4-Bromo-3-(difluoromethyl)-6-hydroxypicolinic acid
CID 118800364
4-(Difluoromethyl)-6-hydroxy-3-(trifluoromethyl)picolinic acid
CID 118800394
4-(Difluoromethyl)-6-hydroxy-3-iodopicolinic acid
CID 118806020
4-(Difluoromethyl)-5,6-dihydroxypicolinic acid
CID 118806898
4-Chloro-3-(difluoromethyl)-6-hydroxypyridine-2-carboxylic acid
CID 118821921
4-(Difluoromethyl)-3-fluoro-6-hydroxypicolinic acid
CID 118823284
4-(Difluoromethyl)-3,6-dihydroxypicolinic acid
CID 118823768

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 118806514) is 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is Nc1cc(=O)[nH]c(C(=O)O)c1C(F)F.
What is the InChIKey of 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is XLUDBDVXAFWQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-6(9)4-2(10)1-3(12)11-5(4)7(13)14/h1,6H,(H,13,14)(H3,10,11,12).
What are the key properties of 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
4-amino-3-(difluoromethyl)-6-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 4-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 118806514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).