2-(bromomethyl)-6-(pyrrolidin-1-yl)pyridine

• ChemBase ID: 76012
• Molecular Formular: C10H13BrN2
• Molecular Mass: 241.12762
• Monoisotopic Mass: 240.02621043
• SMILES: n1c(cccc1N1CCCC1)CBr
• Canonical SMILES: BrCc1cccc(n1)N1CCCC1
• InChI: InChI=1S/C10H13BrN2/c11-8-9-4-3-5-10(12-9)13-6-1-2-7-13/h3-5H,1-2,6-8H2
• InChIKey: UFXKRINLXMWRES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-6-(pyrrolidin-1-yl)pyridine
• IUPAC Traditional name: 2-(bromomethyl)-6-(pyrrolidin-1-yl)pyridine
• Synonyms: 2-(bromomethyl)-6-pyrrolidin-1-ylpyridine; 1-[6-(Bromomethyl)pyridin-2-yl]pyrrolidine; 2-(Bromomethyl)-6-(pyrrolidin-1-yl)pyridine 97%

Database IDs

• CAS Number: 869901-04-2
• MDL Number: MFCD09817465
• PubChem SID: 162040930
• PubChem CID: 24229482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3650491
• LogD (pH = 7.4): 2.7111819
• Log P: 2.7180815
• Molar Refractivity: 58.5124 cm^3
• Polarizability: 21.721172 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69-72.5°C

Safety Information

• Storage Warning: Corrosive/Toxic/Harmful/Light Sensitive/Keep Cold/Store under Argon

Product Information

• Purity: 97%