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

C7H6F2N2O3 — CID 130104914

IUPAC5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESNc1cc(C(F)F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C7H6F2N2O3/c8-5(9)2-1-3(10)6(12)11-4(2)7(13)14/h1,5H,10H2,(H,11,12)(H,13,14)
InChIKeyWFBJCSQZWALMMD-UHFFFAOYSA-N
MW204.13 g/mol
LogP0.59
Rot. Bonds2

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

5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130104914) has the molecular formula C7H6F2N2O3 and a molecular weight of 204.13 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130104914
Molecular FormulaC7H6F2N2O3
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESNc1cc(C(F)F)c(C(=O)O)[nH]c1=O
InChIInChI=1S/C7H6F2N2O3/c8-5(9)2-1-3(10)6(12)11-4(2)7(13)14/h1,5H,10H2,(H,11,12)(H,13,14)
InChIKeyWFBJCSQZWALMMD-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
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 130104914) is 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is Nc1cc(C(F)F)c(C(=O)O)[nH]c1=O.
What is the InChIKey of 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is WFBJCSQZWALMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O3/c8-5(9)2-1-3(10)6(12)11-4(2)7(13)14/h1,5H,10H2,(H,11,12)(H,13,14).
What are the key properties of 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
5-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 5-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130104914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).