5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid

C12H8ClFN2O3 — CID 82716669

IUPAC5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H8ClFN2O3/c13-8-2-1-7(4-9(8)14)19-11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyVOXZJQCEBSNZPC-UHFFFAOYSA-N
MW282.66 g/mol
LogP2.95
Rot. Bonds3

About 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid

5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid (PubChem CID 82716669) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
PubChem CID82716669
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
SMILESNc1cc(C(=O)O)cnc1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H8ClFN2O3/c13-8-2-1-7(4-9(8)14)19-11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18)
InChIKeyVOXZJQCEBSNZPC-UHFFFAOYSA-N
XLogP2.95
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid (CID 82716669) is 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid is Nc1cc(C(=O)O)cnc1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid?
The InChIKey is VOXZJQCEBSNZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c13-8-2-1-7(4-9(8)14)19-11-10(15)3-6(5-16-11)12(17)18/h1-5H,15H2,(H,17,18).
What are the key properties of 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid?
5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid has a molecular weight of 282.66 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 82716669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).