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

C13H8F3NO2 — CID 16768557

IUPAC5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)11-3-1-2-8(5-11)9-4-10(12(18)19)7-17-6-9/h1-7H,(H,18,19)
InChIKeyXPOWGSBZIKCQTP-UHFFFAOYSA-N
MW267.21 g/mol
LogP3.47
Rot. Bonds2

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

5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 16768557) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID16768557
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)11-3-1-2-8(5-11)9-4-10(12(18)19)7-17-6-9/h1-7H,(H,18,19)
InChIKeyXPOWGSBZIKCQTP-UHFFFAOYSA-N
XLogP3.47
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 16768557) is 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is XPOWGSBZIKCQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)11-3-1-2-8(5-11)9-4-10(12(18)19)7-17-6-9/h1-7H,(H,18,19).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 267.21 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 16768557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).