2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid

C14H10F3NO3 — CID 2775908

IUPAC2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-5-3-9(4-6-10)8-18-7-1-2-11(12(18)19)13(20)21/h1-7H,8H2,(H,20,21)
InChIKeyQEVYEOVHIKEWCV-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.61
Rot. Bonds3

About 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid

2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 2775908) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID2775908
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)10-5-3-9(4-6-10)8-18-7-1-2-11(12(18)19)13(20)21/h1-7H,8H2,(H,20,21)
InChIKeyQEVYEOVHIKEWCV-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

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid (CID 2775908) is 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is QEVYEOVHIKEWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)10-5-3-9(4-6-10)8-18-7-1-2-11(12(18)19)13(20)21/h1-7H,8H2,(H,20,21).
What are the key properties of 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic 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 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 2775908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).