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

C13H7F4NO2 — CID 133089659

IUPAC5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F4NO2/c14-7-5-9(12(19)20)11(18-6-7)8-3-1-2-4-10(8)13(15,16)17/h1-6H,(H,19,20)
InChIKeyJVQLOZIKCYSZAK-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.60
Rot. Bonds2

About 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 133089659) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID133089659
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(F)cnc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C13H7F4NO2/c14-7-5-9(12(19)20)11(18-6-7)8-3-1-2-4-10(8)13(15,16)17/h1-6H,(H,19,20)
InChIKeyJVQLOZIKCYSZAK-UHFFFAOYSA-N
XLogP3.60
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
2-[5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 134628859
4-chloro-6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 22030043
2-(2,4-dichlorophenyl)-5-fluoropyridine-3-carboxylic acid
CID 118824902
2-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118808003
4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
2-(2-fluorophenyl)-5-methylpyridine-3-carboxylic acid
CID 83918520
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
6-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 24729991
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092047
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
CID 46313199
5-fluoro-2-(2,3,4,5,6-pentachlorophenyl)pyridine-3-carboxylic acid
CID 133089990

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 133089659) is 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cc(F)cnc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is JVQLOZIKCYSZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-7-5-9(12(19)20)11(18-6-7)8-3-1-2-4-10(8)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 285.20 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 133089659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).