2-bromo-6-methoxypyridin-3-amine

• ChemBase ID: 238697
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: n1c(c(ccc1OC)N)Br
• Canonical SMILES: COc1ccc(c(n1)Br)N
• InChI: InChI=1S/C6H7BrN2O/c1-10-5-3-2-4(8)6(7)9-5/h2-3H,8H2,1H3
• InChIKey: BUPDRKSRZCMGRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 135795-46-9
• MDL Number: MFCD05662394
• PubChem SID: 164294607
• PubChem CID: 15209324

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3377078
• LogD (pH = 7.4): 1.3377084
• Log P: 1.3377084
• Molar Refractivity: 43.8432 cm^3
• Polarizability: 16.084929 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.146

Product Information

• Purity: 95%; 98%