6-bromo-5-methoxypyridin-3-amine

• ChemBase ID: 294543
• Molecular Formular: C6H7BrN2O
• Molecular Mass: 203.03658
• Monoisotopic Mass: 201.97417485
• SMILES: COc1c(Br)ncc(N)c1
• Canonical SMILES: COc1cc(N)cnc1Br
• InChI: InChI=1S/C6H7BrN2O/c1-10-5-2-4(8)3-9-6(5)7/h2-3H,8H2,1H3
• InChIKey: VNJYEDKEMNOYBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-5-methoxypyridin-3-amine
• IUPAC Traditional name: 6-bromo-5-methoxypyridin-3-amine
• Synonyms: 6-Bromo-5-methoxypyridin-3-amine

Database IDs

• CAS Number: 1020253-85-3
• MDL Number: MFCD21603641
• PubChem SID: 180680074
• PubChem CID: 70700354

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7431801
• LogD (pH = 7.4): 0.7432499
• Log P: 0.7432508
• Molar Refractivity: 43.5297 cm^3
• Polarizability: 16.08552 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%