5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

C13H9F3N2O3 — CID 114408349

IUPAC5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)7-3-1-2-4-10(7)21-11-8(17)5-6-9(18-11)12(19)20/h1-6H,17H2,(H,19,20)
InChIKeyMQGWOZJEEFKSOI-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.17
Rot. Bonds3

About 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (PubChem CID 114408349) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
PubChem CID114408349
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESNc1ccc(C(=O)O)nc1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)7-3-1-2-4-10(7)21-11-8(17)5-6-9(18-11)12(19)20/h1-6H,17H2,(H,19,20)
InChIKeyMQGWOZJEEFKSOI-UHFFFAOYSA-N
XLogP3.17
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-acetamidophenoxy)-5-aminopyridine-2-carboxylic acid
CID 114408530
5-amino-6-quinolin-8-yloxypyridine-2-carboxylic acid
CID 114408715
5-amino-6-(2-butan-2-ylphenoxy)pyridine-2-carboxylic acid
CID 114408523
1-ethyl-2-[2-(trifluoromethyl)phenoxy]imidazole-4-carboxylic acid
CID 117189786
5-amino-6-(2-carbamoylphenoxy)pyridine-2-carboxamide
CID 114408553
5-amino-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 82610184
5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
2-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 117187055
5-amino-6-(3-ethoxyphenoxy)pyridine-2-carboxylic acid
CID 114408919
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-2-carboxylic acid
CID 114408858
2-amino-5-[2-(trifluoromethyl)phenoxy]benzamide
CID 61312851
5-amino-6-[4-(hydroxymethyl)-2-methoxyphenoxy]pyridine-2-carboxylic acid
CID 107744136

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (CID 114408349) is 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is Nc1ccc(C(=O)O)nc1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The InChIKey is MQGWOZJEEFKSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-13(15,16)7-3-1-2-4-10(7)21-11-8(17)5-6-9(18-11)12(19)20/h1-6H,17H2,(H,19,20).
What are the key properties of 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid has a molecular weight of 298.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 114408349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).