3-bromo-5-methoxypyridin-2-amine

• ChemBase ID: 246185
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: n1c(c(cc(c1)OC)Br)N
• Canonical SMILES: COc1cnc(c(c1)Br)N
• InChI: InChI=1S/C6H7BrN2O/c1-10-4-2-5(7)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
• InChIKey: KQOQBLKXTMMFQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12025479
• PubChem SID: 164302095
• PubChem CID: 71757907

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0889415
• LogD (pH = 7.4): 1.1316123
• Log P: 1.1321863
• Molar Refractivity: 43.001 cm^3
• Polarizability: 16.034784 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.746

Product Information

• Purity: 95%