4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

C8H5F4NO4 — CID 118800466

IUPAC4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(CF)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H5F4NO4/c9-2-3-1-4(14)13-6(5(3)7(15)16)17-8(10,11)12/h1H,2H2,(H,13,14)(H,15,16)
InChIKeyXGYSEGXXFDGKDL-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.44
Rot. Bonds3

About 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (PubChem CID 118800466) has the molecular formula C8H5F4NO4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
PubChem CID118800466
Molecular FormulaC8H5F4NO4
Molecular Weight255.12 g/mol
Exact Mass255.02
IUPAC Name4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(CF)cc(=O)[nH]c1OC(F)(F)F
InChIInChI=1S/C8H5F4NO4/c9-2-3-1-4(14)13-6(5(3)7(15)16)17-8(10,11)12/h1H,2H2,(H,13,14)(H,15,16)
InChIKeyXGYSEGXXFDGKDL-UHFFFAOYSA-N
XLogP1.44
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Hydroxy-4-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 334847
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
CID 136321754
2-(4-(Difluoromethyl)-2,6-dihydroxypyridin-3-yl)acetic acid
CID 118818260
4-(aminomethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118824225
4-(Difluoromethyl)-6-hydroxy-2-methoxynicotinic acid
CID 118829699
2-[4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 118829750
4-(Difluoromethyl)-2-fluoro-6-hydroxynicotinic acid
CID 118835194
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethyl)nicotinic acid
CID 118840826
4-(Difluoromethyl)-6-hydroxy-2-(trifluoromethoxy)nicotinic acid
CID 118840940
4-(Difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethoxy)pyridin-2-ol
CID 118846576
2-Bromo-4-(difluoromethyl)-6-hydroxynicotinic acid
CID 118997745
2-Chloro-4-(difluoromethyl)-6-hydroxynicotinic acid
CID 119004555

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (CID 118800466) is 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is O=C(O)c1c(CF)cc(=O)[nH]c1OC(F)(F)F.
What is the InChIKey of 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The InChIKey is XGYSEGXXFDGKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO4/c9-2-3-1-4(14)13-6(5(3)7(15)16)17-8(10,11)12/h1H,2H2,(H,13,14)(H,15,16).
What are the key properties of 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid has a molecular weight of 255.12 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118800466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).