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

C13H8F3NO2 — CID 24729991

IUPAC6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(7-17-11)12(18)19/h1-7H,(H,18,19)
InChIKeyZOXBVLYLUPBKAB-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.47
Rot. Bonds2

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

6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 24729991) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID24729991
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(7-17-11)12(18)19/h1-7H,(H,18,19)
InChIKeyZOXBVLYLUPBKAB-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-hydroxyphenyl)pyridine-3-carboxylic acid
CID 135741475
5-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 146037649
5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22030043
6-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 24729986
6-(2-acetamidophenyl)pyridine-3-carboxylic acid
CID 53427670
4-[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]benzoic acid
CID 11493928
2-methyl-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 112694386
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
6-(6-phenyl-1,2,4,5-tetrazin-3-yl)pyridine-3-carboxylic acid
CID 59153724
3-[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]benzoic acid
CID 141357507
3-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carboxylic acid
CID 39219281

Frequently Asked Questions

What is the IUPAC name of 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 24729991) is 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2ccccc2C(F)(F)F)nc1.
What is the InChIKey of 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is ZOXBVLYLUPBKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)10-4-2-1-3-9(10)11-6-5-8(7-17-11)12(18)19/h1-7H,(H,18,19).
What are the key properties of 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 267.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 24729991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).