6-bromo-2-methoxypyridin-3-amine

• ChemBase ID: 78315
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: n1c(c(ccc1Br)N)OC
• Canonical SMILES: COc1nc(Br)ccc1N
• InChI: InChI=1S/C6H7BrN2O/c1-10-6-4(8)2-3-5(7)9-6/h2-3H,8H2,1H3
• InChIKey: HSVYYOLSYNEVSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-methoxypyridin-3-amine
• IUPAC Traditional name: 6-bromo-2-methoxypyridin-3-amine
• Synonyms: 6-Bromo-2-methoxypyridin-3-amine; 3-Amino-6-bromo-2-methoxypyridine

Database IDs

• CAS Number: 89466-18-2
• MDL Number: MFCD06738312
• PubChem SID: 162043084
• PubChem CID: 10536137

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3377076
• LogD (pH = 7.4): 1.3377084
• Log P: 1.3377084
• Molar Refractivity: 43.8432 cm^3
• Polarizability: 16.082048 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive/Store under Argon

Product Information

• Purity: 95+%; 98%