6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid

C13H7F4NO3 — CID 133089211

IUPAC6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2OC(F)(F)F)c(F)n1
InChIInChI=1S/C13H7F4NO3/c14-11-8(5-6-9(18-11)12(19)20)7-3-1-2-4-10(7)21-13(15,16)17/h1-6H,(H,19,20)
InChIKeyPFLVATQWUIIGJY-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.48
Rot. Bonds3

About 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid

6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 133089211) has the molecular formula C13H7F4NO3 and a molecular weight of 301.20 g/mol. Its IUPAC name is 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID133089211
Molecular FormulaC13H7F4NO3
Molecular Weight301.20 g/mol
Exact Mass301.04
IUPAC Name6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2ccccc2OC(F)(F)F)c(F)n1
InChIInChI=1S/C13H7F4NO3/c14-11-8(5-6-9(18-11)12(19)20)7-3-1-2-4-10(7)21-13(15,16)17/h1-6H,(H,19,20)
InChIKeyPFLVATQWUIIGJY-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

1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
2-[6-fluoro-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133093982
methyl 6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 134635647
5-chloro-2-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 103694050
6-bromo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118999323
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 133089695
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133096218

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (CID 133089211) is 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2ccccc2OC(F)(F)F)c(F)n1.
What is the InChIKey of 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is PFLVATQWUIIGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO3/c14-11-8(5-6-9(18-11)12(19)20)7-3-1-2-4-10(7)21-13(15,16)17/h1-6H,(H,19,20).
What are the key properties of 6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
6-fluoro-5-[2-(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-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 133089211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).