6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid

C13H8F3NO3 — CID 53223948

IUPAC6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)10-4-2-1-3-8(10)9-5-7(12(19)20)6-17-11(9)18/h1-6H,(H,17,18)(H,19,20)
InChIKeyCZAIZVNXZFQEBP-UHFFFAOYSA-N
MW283.20 g/mol
LogP2.76
Rot. Bonds2

About 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid

6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid (PubChem CID 53223948) has the molecular formula C13H8F3NO3 and a molecular weight of 283.20 g/mol. Its IUPAC name is 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
PubChem CID53223948
Molecular FormulaC13H8F3NO3
Molecular Weight283.20 g/mol
Exact Mass283.05
IUPAC Name6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)10-4-2-1-3-8(10)9-5-7(12(19)20)6-17-11(9)18/h1-6H,(H,17,18)(H,19,20)
InChIKeyCZAIZVNXZFQEBP-UHFFFAOYSA-N
XLogP2.76
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid (CID 53223948) is 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is CZAIZVNXZFQEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)10-4-2-1-3-8(10)9-5-7(12(19)20)6-17-11(9)18/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 283.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 53223948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).