(3-bromo-5-methylpyridin-2-yl)methanamine hydrochloride

• ChemBase ID: 90470
• Molecular Formular: C7H10BrClN2
• Molecular Mass: 237.5247
• Monoisotopic Mass: 235.97158801
• SMILES: n1c(c(cc(c1)C)Br)CN.Cl
• Canonical SMILES: NCc1ncc(cc1Br)C.Cl
• InChI: InChI=1S/C7H9BrN2.ClH/c1-5-2-6(8)7(3-9)10-4-5;/h2,4H,3,9H2,1H3;1H
• InChIKey: QHHHKIUFXYOZLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromo-5-methylpyridin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (3-bromo-5-methylpyridin-2-yl)methanamine hydrochloride
• Synonyms: (3-Bromo-5-methylpyridin-2-yl)methylamine hydrochloride; 2-(Aminomethyl)-3-bromo-5-methylpyridine hydrochloride

Database IDs

• MDL Number: MFCD17214207
• PubChem SID: 162077275
• PubChem CID: 53395580

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3966408
• LogD (pH = 7.4): 0.23736538
• Log P: 1.2449877
• Molar Refractivity: 44.5163 cm^3
• Polarizability: 17.352428 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold