2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid

C13H8F3NO3 — CID 16640961

IUPAC2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)c[nH]c1=O
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)9-3-1-7(2-4-9)8-5-10(12(19)20)11(18)17-6-8/h1-6H,(H,17,18)(H,19,20)
InChIKeyPFRXFCDETPFONF-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.76
Rot. Bonds2

About 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid

2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid (PubChem CID 16640961) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
PubChem CID16640961
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)c[nH]c1=O
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)9-3-1-7(2-4-9)8-5-10(12(19)20)11(18)17-6-8/h1-6H,(H,17,18)(H,19,20)
InChIKeyPFRXFCDETPFONF-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 ≤ 500283.21
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid (CID 16640961) is 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid is O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)c[nH]c1=O.
What is the InChIKey of 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
The InChIKey is PFRXFCDETPFONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)9-3-1-7(2-4-9)8-5-10(12(19)20)11(18)17-6-8/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid?
2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid has a molecular weight of 283.21 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 2-oxo-5-[4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 16640961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).