6-bromo-3-phenylmethoxypyridin-2-amine

C12H11BrN2O — CID 59605512

IUPAC6-bromo-3-phenylmethoxypyridin-2-amine
SMILESNc1nc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C12H11BrN2O/c13-11-7-6-10(12(14)15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeySBITUVUOQJQMEJ-UHFFFAOYSA-N
MW279.14 g/mol
LogP3.01
Rot. Bonds3

About 6-bromo-3-phenylmethoxypyridin-2-amine

6-bromo-3-phenylmethoxypyridin-2-amine (PubChem CID 59605512) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 6-bromo-3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-phenylmethoxypyridin-2-amine
PubChem CID59605512
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name6-bromo-3-phenylmethoxypyridin-2-amine
SMILESNc1nc(Br)ccc1OCc1ccccc1
InChIInChI=1S/C12H11BrN2O/c13-11-7-6-10(12(14)15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKeySBITUVUOQJQMEJ-UHFFFAOYSA-N
XLogP3.01
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-3-phenylmethoxypyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-phenylmethoxypyridin-2-amine?
The IUPAC name of 6-bromo-3-phenylmethoxypyridin-2-amine (CID 59605512) is 6-bromo-3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 6-bromo-3-phenylmethoxypyridin-2-amine?
The canonical SMILES for 6-bromo-3-phenylmethoxypyridin-2-amine is Nc1nc(Br)ccc1OCc1ccccc1.
What is the InChIKey of 6-bromo-3-phenylmethoxypyridin-2-amine?
The InChIKey is SBITUVUOQJQMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-11-7-6-10(12(14)15-11)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15).
What are the key properties of 6-bromo-3-phenylmethoxypyridin-2-amine?
6-bromo-3-phenylmethoxypyridin-2-amine has a molecular weight of 279.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 59605512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).