2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid

C14H10F3NO4 — CID 82108139

IUPAC2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(OCc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)10-4-1-3-9(7-10)8-22-18-6-2-5-11(12(18)19)13(20)21/h1-7H,8H2,(H,20,21)
InChIKeyARLWVIUMPLISEZ-UHFFFAOYSA-N
MW313.23 g/mol
LogP2.19
Rot. Bonds4

About 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid

2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid (PubChem CID 82108139) has the molecular formula C14H10F3NO4 and a molecular weight of 313.23 g/mol. Its IUPAC name is 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
PubChem CID82108139
Molecular FormulaC14H10F3NO4
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(OCc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C14H10F3NO4/c15-14(16,17)10-4-1-3-9(7-10)8-22-18-6-2-5-11(12(18)19)13(20)21/h1-7H,8H2,(H,20,21)
InChIKeyARLWVIUMPLISEZ-UHFFFAOYSA-N
XLogP2.19
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxo-1-phenylmethoxypyridine-3-carboxamide
CID 27563765
2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzoic acid
CID 15574688
5-bromo-6-[[3-(trifluoromethyl)phenyl]methoxy]naphthalene-1-carboxylic acid
CID 13454965
2,4-dioxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxylic acid
CID 115114703
2-oxo-N-(1,3-thiazol-2-yl)-1-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxamide
CID 110382882
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
methyl 2-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382409
1-methoxy-2-oxopyridine-3-carboxylic acid
CID 90711575
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351
2-[4-[[3-(trifluoromethyl)phenyl]methoxy]pyrazol-1-yl]acetic acid
CID 117234296
6-oxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyridine-3-carboxylic acid
CID 70280706
[3-(trifluoromethyl)phenyl]methyl 3-aminobenzoate
CID 60665378

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid (CID 82108139) is 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid is O=C(O)c1cccn(OCc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid?
The InChIKey is ARLWVIUMPLISEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO4/c15-14(16,17)10-4-1-3-9(7-10)8-22-18-6-2-5-11(12(18)19)13(20)21/h1-7H,8H2,(H,20,21).
What are the key properties of 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid?
2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid has a molecular weight of 313.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 82108139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).