4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid

C13H8F3NO2 — CID 133095875

IUPAC4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)ccnc1C(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)11-10(12(18)19)9(6-7-17-11)8-4-2-1-3-5-8/h1-7H,(H,18,19)
InChIKeyFRJLMPMFEARTFW-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.47
Rot. Bonds2

About 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid

4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 133095875) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID133095875
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccccc2)ccnc1C(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)11-10(12(18)19)9(6-7-17-11)8-4-2-1-3-5-8/h1-7H,(H,18,19)
InChIKeyFRJLMPMFEARTFW-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

5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133096218
2-pyridin-4-yl-6-(trifluoromethyl)benzoic acid
CID 46316119
3-hydroxy-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 15105945
2,4-diphenylpyridine-3-carboxamide
CID 21157292
1-(2,4-diphenyl-3-pyridinyl)ethanone
CID 102576392
N-[3-benzoyl-2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 30224738
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
2-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23089929
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-chloro-N-(2-hydroxyethyl)-4-phenylpyridine-3-carboxamide
CID 18387224
3-phenylphthalic acid;dihydrobromide
CID 67683459
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 90460143
methyl 2-bromo-4-phenylpyridine-3-carboxylate
CID 54459552

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid (CID 133095875) is 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(-c2ccccc2)ccnc1C(F)(F)F.
What is the InChIKey of 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is FRJLMPMFEARTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)11-10(12(18)19)9(6-7-17-11)8-4-2-1-3-5-8/h1-7H,(H,18,19).
What are the key properties of 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid?
4-phenyl-2-(trifluoromethyl)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 4-phenyl-2-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 133095875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).