4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid

C14H10F3NO3 — CID 1486029

IUPAC4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-5-6-12(19)18(8-11)7-9-1-3-10(4-2-9)13(20)21/h1-6,8H,7H2,(H,20,21)
InChIKeyNFGBWWPYUSWMFZ-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.61
Rot. Bonds3

About 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid

4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid (PubChem CID 1486029) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid
PubChem CID1486029
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-5-6-12(19)18(8-11)7-9-1-3-10(4-2-9)13(20)21/h1-6,8H,7H2,(H,20,21)
InChIKeyNFGBWWPYUSWMFZ-UHFFFAOYSA-N
XLogP2.61
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid?
The IUPAC name of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid (CID 1486029) is 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid?
The canonical SMILES for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid is O=C(O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1.
What is the InChIKey of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid?
The InChIKey is NFGBWWPYUSWMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)11-5-6-12(19)18(8-11)7-9-1-3-10(4-2-9)13(20)21/h1-6,8H,7H2,(H,20,21).
What are the key properties of 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid?
4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid has a molecular weight of 297.23 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoic acid is sourced from PubChem (CID 1486029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).