5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

C13H9F3N2O3 — CID 81446828

IUPAC5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)8-2-1-3-9(5-8)21-11-10(17)4-7(6-18-11)12(19)20/h1-6H,17H2,(H,19,20)
InChIKeyFPBXWCZRZMWJSY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.17
Rot. Bonds3

About 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid

5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid (PubChem CID 81446828) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
PubChem CID81446828
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC Name5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)8-2-1-3-9(5-8)21-11-10(17)4-7(6-18-11)12(19)20/h1-6H,17H2,(H,19,20)
InChIKeyFPBXWCZRZMWJSY-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

5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 82716669
ethyl 5-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 66825644
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 81439910
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
2-[2-methyl-4-[3-(trifluoromethyl)phenoxy]pyrimidin-5-yl]butanoic acid
CID 139654304
5-amino-6-quinolin-8-yloxypyridine-3-carboxylic acid
CID 81447216
[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 3-(trifluoromethyl)benzoate
CID 3706522

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid (CID 81446828) is 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
The InChIKey is FPBXWCZRZMWJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-13(15,16)8-2-1-3-9(5-8)21-11-10(17)4-7(6-18-11)12(19)20/h1-6H,17H2,(H,19,20).
What are the key properties of 5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid?
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-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-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81446828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).