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

C8H4F5NO3 — CID 118800394

IUPAC4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H4F5NO3/c9-6(10)2-1-3(15)14-5(7(16)17)4(2)8(11,12)13/h1,6H,(H,14,15)(H,16,17)
InChIKeyKANXNEUBFSMFOC-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.03
Rot. Bonds2

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

4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (PubChem CID 118800394) has the molecular formula C8H4F5NO3 and a molecular weight of 257.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
PubChem CID118800394
Molecular FormulaC8H4F5NO3
Molecular Weight257.11 g/mol
Exact Mass257.01
IUPAC Name4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H4F5NO3/c9-6(10)2-1-3(15)14-5(7(16)17)4(2)8(11,12)13/h1,6H,(H,14,15)(H,16,17)
InChIKeyKANXNEUBFSMFOC-UHFFFAOYSA-N
XLogP2.03
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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
Oxoisoquinolinecarboxylic
CID 22923892
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-iodopicolinic acid
CID 118806020
4-Amino-3-(difluoromethyl)-6-hydroxypicolinic acid
CID 118806514
4-Chloro-3-(difluoromethyl)-6-hydroxypyridine-2-carboxylic acid
CID 118821921
4-(Difluoromethyl)-3-fluoro-6-hydroxypicolinic acid
CID 118823284
4-(Difluoromethyl)-5-fluoro-6-(hydroxymethyl)pyridin-2-ol
CID 118823291
4-(Difluoromethyl)-3,6-dihydroxypicolinic acid
CID 118823768

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (CID 118800394) is 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The InChIKey is KANXNEUBFSMFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO3/c9-6(10)2-1-3(15)14-5(7(16)17)4(2)8(11,12)13/h1,6H,(H,14,15)(H,16,17).
What are the key properties of 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid has a molecular weight of 257.11 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 118800394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).