2-bromo-5-methoxypyridin-3-amine

• ChemBase ID: 287651
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: Nc1cc(OC)cnc1Br
• Canonical SMILES: COc1cnc(c(c1)N)Br
• InChI: InChI=1S/C6H7BrN2O/c1-10-4-2-5(8)6(7)9-3-4/h2-3H,8H2,1H3
• InChIKey: CVYWULFZGZRVCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-methoxypyridin-3-amine
• IUPAC Traditional name: 2-bromo-5-methoxypyridin-3-amine
• Synonyms: 2-Bromo-5-methoxypyridin-3-amine

Database IDs

• CAS Number: 1043688-99-8
• PubChem SID: 180673182
• PubChem CID: 45480398

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.74320006
• LogD (pH = 7.4): 0.7432502
• Log P: 0.7432508
• Molar Refractivity: 43.5297 cm^3
• Polarizability: 16.083035 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%