3-bromo-2-methoxypyridin-4-amine

• ChemBase ID: 45036
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: c1(c(nccc1N)OC)Br
• Canonical SMILES: COc1nccc(c1Br)N
• InChI: InChI=1S/C6H7BrN2O/c1-10-6-5(7)4(8)2-3-9-6/h2-3H,1H3,(H2,8,9)
• InChIKey: FJBMTFANAYFWPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-methoxypyridin-4-amine
• IUPAC Traditional name: 3-bromo-2-methoxypyridin-4-amine
• Synonyms: 3-Bromo-2-methoxy-4-pyridinamine

Database IDs

• CAS Number: 215364-86-6
• MDL Number: MFCD11656225
• PubChem SID: 162049799
• PubChem CID: 45588365

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.93743134
• LogD (pH = 7.4): 1.129045
• Log P: 1.1321863
• Molar Refractivity: 43.001 cm^3
• Polarizability: 16.041029 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%