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

C14H10F3NO3 — CID 2775910

IUPAC6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-4-1-9(2-5-11)7-18-8-10(13(20)21)3-6-12(18)19/h1-6,8H,7H2,(H,20,21)
InChIKeyYQPYIHMFARMRGV-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.61
Rot. Bonds3

About 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid

6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid (PubChem CID 2775910) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
PubChem CID2775910
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-4-1-9(2-5-11)7-18-8-10(13(20)21)3-6-12(18)19/h1-6,8H,7H2,(H,20,21)
InChIKeyYQPYIHMFARMRGV-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 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid (CID 2775910) is 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
The InChIKey is YQPYIHMFARMRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)11-4-1-9(2-5-11)7-18-8-10(13(20)21)3-6-12(18)19/h1-6,8H,7H2,(H,20,21).
What are the key properties of 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid?
6-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 6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 2775910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).