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

C13H8F3NO3 — CID 134627368

IUPAC4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2OC(F)(F)F)ccn1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-9(11)8-5-6-17-10(7-8)12(18)19/h1-7H,(H,18,19)
InChIKeyYUUYYFJRKABRED-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.35
Rot. Bonds3

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

4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (PubChem CID 134627368) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
PubChem CID134627368
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2OC(F)(F)F)ccn1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-9(11)8-5-6-17-10(7-8)12(18)19/h1-7H,(H,18,19)
InChIKeyYUUYYFJRKABRED-UHFFFAOYSA-N
XLogP3.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 53223943
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403
5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
4-methyl-5-oxo-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazine-2-carboxylic acid
CID 11696778
6-fluoro-5-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 133089211
2-methoxy-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134620786
2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118819339
2-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514239
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
CID 118803810
4-(2-methylsulfanylphenyl)pyridine-2-carboxylic acid
CID 53223287

Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid (CID 134627368) is 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2ccccc2OC(F)(F)F)ccn1.
What is the InChIKey of 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
The InChIKey is YUUYYFJRKABRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)20-11-4-2-1-3-9(11)8-5-6-17-10(7-8)12(18)19/h1-7H,(H,18,19).
What are the key properties of 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid?
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 134627368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).