5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid

C13H7F4NO2 — CID 133089636

IUPAC5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ncc1F
InChIInChI=1S/C13H7F4NO2/c14-10-6-18-11(5-9(10)12(19)20)7-2-1-3-8(4-7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyJPILCNBEJITSIQ-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.60
Rot. Bonds2

About 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid

5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (PubChem CID 133089636) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
PubChem CID133089636
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ncc1F
InChIInChI=1S/C13H7F4NO2/c14-10-6-18-11(5-9(10)12(19)20)7-2-1-3-8(4-7)13(15,16)17/h1-6H,(H,19,20)
InChIKeyJPILCNBEJITSIQ-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

4,5-difluoro-2-[3-(trifluoromethyl)phenyl]benzoic acid
CID 118812821
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134635397
nitrous acid;2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 175527082
2-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]benzoic acid
CID 87086730
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168821693
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
3-[3-(trifluoromethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219293
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
5-fluoro-2-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 155818629
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
ethane;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 143902946

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The IUPAC name of 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid (CID 133089636) is 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ncc1F.
What is the InChIKey of 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
The InChIKey is JPILCNBEJITSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-10-6-18-11(5-9(10)12(19)20)7-2-1-3-8(4-7)13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid?
5-fluoro-2-[3-(trifluoromethyl)phenyl]pyridine-4-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-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 133089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).