4-bromo-N-cyclopropylpyridin-2-amine

• ChemBase ID: 290303
• Molecular Formular: C8H9BrN2
• Molecular Mass: 213.07446
• Monoisotopic Mass: 211.9949103
• SMILES: Brc1cc(NC2CC2)ncc1
• Canonical SMILES: Brc1ccnc(c1)NC1CC1
• InChI: InChI=1S/C8H9BrN2/c9-6-3-4-10-8(5-6)11-7-1-2-7/h3-5,7H,1-2H2,(H,10,11)
• InChIKey: ODLZYUOHICTMRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-N-cyclopropylpyridin-2-amine
• IUPAC Traditional name: 4-bromo-N-cyclopropylpyridin-2-amine
• Synonyms: 4-Bromo-N-cyclopropylpyridin-2-amine

Database IDs

• CAS Number: 1209458-84-3
• PubChem SID: 180675834
• PubChem CID: 53217436

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.7828208
• LogD (pH = 7.4): 2.0521953
• Log P: 2.0571263
• Molar Refractivity: 49.2424 cm^3
• Polarizability: 18.181908 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%