5-bromo-6-methoxypyridin-3-amine

• ChemBase ID: 22420
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: c1(cnc(c(c1)Br)OC)N
• Canonical SMILES: COc1ncc(cc1Br)N
• InChI: InChI=1S/C6H7BrN2O/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,8H2,1H3
• InChIKey: YWYVVGOHQBANQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-6-methoxypyridin-3-amine
• IUPAC Traditional name: 5-bromo-6-methoxypyridin-3-amine
• Synonyms: 5-Amino-3-bromo-2-methoxypyridine; 5-Bromo-6-methoxy-3-pyridinamine; 5-Bromo-6-methoxypyridin-3-amine

Database IDs

• CAS Number: 53242-18-5
• MDL Number: MFCD06659518
• PubChem SID: 160985727
• PubChem CID: 21310712

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1321111
• LogD (pH = 7.4): 1.1321853
• Log P: 1.1321863
• Molar Refractivity: 43.001 cm^3
• Polarizability: 16.039888 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%