2-bromo-6-phenoxypyridin-3-amine

C11H9BrN2O — CID 130297148

IUPAC2-bromo-6-phenoxypyridin-3-amine
SMILESNc1ccc(Oc2ccccc2)nc1Br
InChIInChI=1S/C11H9BrN2O/c12-11-9(13)6-7-10(14-11)15-8-4-2-1-3-5-8/h1-7H,13H2
InChIKeyLUBOMUUMWCIYKB-UHFFFAOYSA-N
MW265.11 g/mol
LogP3.22
Rot. Bonds2

About 2-bromo-6-phenoxypyridin-3-amine

2-bromo-6-phenoxypyridin-3-amine (PubChem CID 130297148) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 2-bromo-6-phenoxypyridin-3-amine.

Molecular Properties

Compound Name2-bromo-6-phenoxypyridin-3-amine
PubChem CID130297148
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name2-bromo-6-phenoxypyridin-3-amine
SMILESNc1ccc(Oc2ccccc2)nc1Br
InChIInChI=1S/C11H9BrN2O/c12-11-9(13)6-7-10(14-11)15-8-4-2-1-3-5-8/h1-7H,13H2
InChIKeyLUBOMUUMWCIYKB-UHFFFAOYSA-N
XLogP3.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-phenoxypyridin-3-amine?
The IUPAC name of 2-bromo-6-phenoxypyridin-3-amine (CID 130297148) is 2-bromo-6-phenoxypyridin-3-amine.
What is the SMILES notation for 2-bromo-6-phenoxypyridin-3-amine?
The canonical SMILES for 2-bromo-6-phenoxypyridin-3-amine is Nc1ccc(Oc2ccccc2)nc1Br.
What is the InChIKey of 2-bromo-6-phenoxypyridin-3-amine?
The InChIKey is LUBOMUUMWCIYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-11-9(13)6-7-10(14-11)15-8-4-2-1-3-5-8/h1-7H,13H2.
What are the key properties of 2-bromo-6-phenoxypyridin-3-amine?
2-bromo-6-phenoxypyridin-3-amine has a molecular weight of 265.11 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-phenoxypyridin-3-amine is sourced from PubChem (CID 130297148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).