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

C13H8F3NO3 — CID 133091974

IUPAC6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-7(2-4-8)9-5-6-10(18)17-11(9)12(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyMLLORANEFRKBMW-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.76
Rot. Bonds2

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

6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid (PubChem CID 133091974) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid
PubChem CID133091974
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-7(2-4-8)9-5-6-10(18)17-11(9)12(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyMLLORANEFRKBMW-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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Related Compounds

6-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091914
3-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
CID 79018068
6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 133089695
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid
CID 141349982
1-methyl-4-[4-(trifluoromethyl)phenyl]pyrazole-5-carboxylic acid
CID 105423901
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600
2-[5-fluoro-2-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 11630778
3-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 84720424
6-(hydroxymethyl)-5-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091897
2-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369391
ethane;4-[2-[4-(trifluoromethyl)phenoxy]phenyl]benzoic acid
CID 169108803
5-(6-oxo-1H-pyridin-3-yl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68524641

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid (CID 133091974) is 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid?
The InChIKey is MLLORANEFRKBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-7(2-4-8)9-5-6-10(18)17-11(9)12(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid?
6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-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 6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 133091974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).