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

C14H10F3NO3 — CID 11702104

IUPAC6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c1-8-5-6-11(13(20)21)12(19)18(8)10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H,20,21)
InChIKeyHGSDSOKEXHWXMU-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.86
Rot. Bonds2

About 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 11702104) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID11702104
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10F3NO3/c1-8-5-6-11(13(20)21)12(19)18(8)10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H,20,21)
InChIKeyHGSDSOKEXHWXMU-UHFFFAOYSA-N
XLogP2.86
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 11702104) is 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is HGSDSOKEXHWXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c1-8-5-6-11(13(20)21)12(19)18(8)10-4-2-3-9(7-10)14(15,16)17/h2-7H,1H3,(H,20,21).
What are the key properties of 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 297.23 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 11702104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).