6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid

C13H9F3N2O2 — CID 62253573

IUPAC6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)17-11-6-2-5-10(18-11)12(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyXWMUSDSMVZNDRA-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.54
Rot. Bonds3

About 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid

6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid (PubChem CID 62253573) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid
PubChem CID62253573
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)17-11-6-2-5-10(18-11)12(19)20/h1-7H,(H,17,18)(H,19,20)
InChIKeyXWMUSDSMVZNDRA-UHFFFAOYSA-N
XLogP3.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid (CID 62253573) is 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid is O=C(O)c1cccc(Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid?
The InChIKey is XWMUSDSMVZNDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)17-11-6-2-5-10(18-11)12(19)20/h1-7H,(H,17,18)(H,19,20).
What are the key properties of 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid?
6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid has a molecular weight of 282.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)anilino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62253573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).