[5-(6-bromopyridin-2-yl)pyridin-3-yl]methanamine

• ChemBase ID: 796560
• Molecular Formular: C11H10BrN3
• Molecular Mass: 264.1212
• Monoisotopic Mass: 263.00580934
• SMILES: C(N)c1cc(c2nc(ccc2)Br)cnc1
• Canonical SMILES: NCc1cncc(c1)c1cccc(n1)Br
• InChI: InChI=1S/C11H10BrN3/c12-11-3-1-2-10(15-11)9-4-8(5-13)6-14-7-9/h1-4,6-7H,5,13H2
• InChIKey: JWFBDFACDRALLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(6-bromopyridin-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(6-bromopyridin-2-yl)pyridin-3-yl]methanamine
• Synonyms: (6-BroMo-[2,3'-bipyridin]-5'-yl)MethanaMine

Database IDs

• CAS Number: 1346687-09-9

CALCULATED PROPERTIES

• LogD (pH = 5.5): -1.2499864
• LogD (pH = 7.4): 0.017525073
• Log P: 1.6710197
• Molar Refractivity: 63.4468 cm^3
• Polarizability: 25.576529 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Product Information

• Purity: 98%