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

C13H9F3N2O2 — CID 54503482

IUPAC4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESNc1ccnc(-c2cccc(C(F)(F)F)c2)c1C(=O)O
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-2-7(6-8)11-10(12(19)20)9(17)4-5-18-11/h1-6H,(H2,17,18)(H,19,20)
InChIKeyYEBPUUNJQDRWMP-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.05
Rot. Bonds2

About 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid

4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (PubChem CID 54503482) has the molecular formula C13H9F3N2O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
PubChem CID54503482
Molecular FormulaC13H9F3N2O2
Molecular Weight282.22 g/mol
Exact Mass282.06
IUPAC Name4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
SMILESNc1ccnc(-c2cccc(C(F)(F)F)c2)c1C(=O)O
InChIInChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-2-7(6-8)11-10(12(19)20)9(17)4-5-18-11/h1-6H,(H2,17,18)(H,19,20)
InChIKeyYEBPUUNJQDRWMP-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 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid (CID 54503482) is 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is Nc1ccnc(-c2cccc(C(F)(F)F)c2)c1C(=O)O.
What is the InChIKey of 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
The InChIKey is YEBPUUNJQDRWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O2/c14-13(15,16)8-3-1-2-7(6-8)11-10(12(19)20)9(17)4-5-18-11/h1-6H,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid?
4-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 4-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 54503482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).