1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

C15H12F3NO3 — CID 14075343

IUPAC1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)cc(-c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C15H12F3NO3/c1-8-13(14(21)22)12(20)7-11(19(8)2)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H,21,22)
InChIKeyYNROXSVYVNESCO-UHFFFAOYSA-N
MW311.26 g/mol
LogP3.08
Rot. Bonds2

About 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 14075343) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID14075343
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)cc(-c2ccc(C(F)(F)F)cc2)n1C
InChIInChI=1S/C15H12F3NO3/c1-8-13(14(21)22)12(20)7-11(19(8)2)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H,21,22)
InChIKeyYNROXSVYVNESCO-UHFFFAOYSA-N
XLogP3.08
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 14075343) is 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is Cc1c(C(=O)O)c(=O)cc(-c2ccc(C(F)(F)F)cc2)n1C.
What is the InChIKey of 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is YNROXSVYVNESCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-8-13(14(21)22)12(20)7-11(19(8)2)9-3-5-10(6-4-9)15(16,17)18/h3-7H,1-2H3,(H,21,22).
What are the key properties of 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 311.26 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-oxo-6-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 14075343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).