3-bromo-6-methoxypyridin-2-amine

• ChemBase ID: 289269
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: Nc1nc(OC)ccc1Br
• Canonical SMILES: COc1ccc(c(n1)N)Br
• InChI: InChI=1S/C6H7BrN2O/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,1H3,(H2,8,9)
• InChIKey: AZCBCUJWVNJPRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-6-methoxypyridin-2-amine
• IUPAC Traditional name: 3-bromo-6-methoxypyridin-2-amine
• Synonyms: 3-Bromo-6-methoxypyridin-2-amine; 2-AMINO-3-BROMO-6-METHOXYPYRIDINE

Database IDs

• CAS Number: 511541-63-2
• PubChem SID: 180674800
• PubChem CID: 23435879

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7249231
• LogD (pH = 7.4): 1.7266221
• Log P: 1.7266438
• Molar Refractivity: 43.3145 cm^3
• Polarizability: 16.037725 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%