6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid

C13H7F4NO3 — CID 133089210

IUPAC6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(F)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H7F4NO3/c14-10-6-5-9(11(18-10)12(19)20)7-1-3-8(4-2-7)21-13(15,16)17/h1-6H,(H,19,20)
InChIKeyGMROYARICZPHKJ-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.48
Rot. Bonds3

About 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid

6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 133089210) has the molecular formula C13H7F4NO3 and a molecular weight of 301.20 g/mol. Its IUPAC name is 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID133089210
Molecular FormulaC13H7F4NO3
Molecular Weight301.20 g/mol
Exact Mass301.04
IUPAC Name6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(F)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H7F4NO3/c14-10-6-5-9(11(18-10)12(19)20)7-1-3-8(4-2-7)21-13(15,16)17/h1-6H,(H,19,20)
InChIKeyGMROYARICZPHKJ-UHFFFAOYSA-N
XLogP3.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-3-(4-fluorophenyl)pyridine-2-carboxylic acid
CID 46313893
3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 53224302
2-fluoro-3-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 103694068
5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510431
methyl 6-methoxy-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635686
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
2-[4-fluoro-5-[4-(trifluoromethoxy)phenyl]-1H-indol-3-yl]acetic acid
CID 118827528
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
2-ethyl-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510760
2-[3-fluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
CID 134620292
2-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetic acid
CID 134631328
(E)-3-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 118822082

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (CID 133089210) is 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is O=C(O)c1nc(F)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is GMROYARICZPHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO3/c14-10-6-5-9(11(18-10)12(19)20)7-1-3-8(4-2-7)21-13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid has a molecular weight of 301.20 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 133089210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).