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

C13H9F3N2O2 — CID 67731154

IUPAC6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESNc1ccc(C(=O)O)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-2-7(6-8)11-9(12(19)20)4-5-10(17)18-11/h1-6H,(H2,17,18)(H,19,20)
InChIKeyPYGRNKDUVVKRCR-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.05
Rot. Bonds2

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

6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 67731154) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID67731154
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESNc1ccc(C(=O)O)c(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-2-7(6-8)11-9(12(19)20)4-5-10(17)18-11/h1-6H,(H2,17,18)(H,19,20)
InChIKeyPYGRNKDUVVKRCR-UHFFFAOYSA-N
XLogP3.05
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 67731154) is 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is Nc1ccc(C(=O)O)c(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is PYGRNKDUVVKRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-2-7(6-8)11-9(12(19)20)4-5-10(17)18-11/h1-6H,(H2,17,18)(H,19,20).
What are the key properties of 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid has a molecular weight of 282.22 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67731154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).