5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid

C7H5F3N2O3 — CID 84724930

IUPAC5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESNc1cc(C(F)(F)F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)2-1-3(11)5(13)12-4(2)6(14)15/h1H,11H2,(H,12,13)(H,14,15)
InChIKeyGJZNSZQNHHWKQQ-UHFFFAOYSA-N
MW222.12 g/mol
LogP0.67
Rot. Bonds1

About 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid

5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (PubChem CID 84724930) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
PubChem CID84724930
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESNc1cc(C(F)(F)F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)2-1-3(11)5(13)12-4(2)6(14)15/h1H,11H2,(H,12,13)(H,14,15)
InChIKeyGJZNSZQNHHWKQQ-UHFFFAOYSA-N
XLogP0.67
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 50.67
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-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84727216
5-chloro-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84728186
5-bromo-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84730779
4-(Difluoromethyl)-6-hydroxy-3-(trifluoromethyl)picolinic acid
CID 118800394
4-(Difluoromethyl)-6-hydroxy-3-iodopicolinic acid
CID 118806020
4-Amino-3-(difluoromethyl)-6-hydroxypicolinic acid
CID 118806514
4-(Difluoromethyl)-5,6-dihydroxypicolinic acid
CID 118806898
4-Chloro-3-(difluoromethyl)-6-hydroxypyridine-2-carboxylic acid
CID 118821921

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (CID 84724930) is 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is Nc1cc(C(F)(F)F)c(C(=O)O)[nH]c1=O.
What is the InChIKey of 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The InChIKey is GJZNSZQNHHWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)2-1-3(11)5(13)12-4(2)6(14)15/h1H,11H2,(H,12,13)(H,14,15).
What are the key properties of 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid has a molecular weight of 222.12 g/mol, XLogP of 0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 84724930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).