(2-methoxypyridin-3-yl)methanamine hydrochloride

• ChemBase ID: 293289
• Molecular Formular: C7H11ClN2O
• Molecular Mass: 174.62804
• Monoisotopic Mass: 174.05599066
• SMILES: COc1ncccc1CN.Cl
• Canonical SMILES: COc1ncccc1CN.Cl
• InChI: InChI=1S/C7H10N2O.ClH/c1-10-7-6(5-8)3-2-4-9-7;/h2-4H,5,8H2,1H3;1H
• InChIKey: BQFPYUKOBJLUPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxypyridin-3-yl)methanamine hydrochloride
• IUPAC Traditional name: (2-methoxypyridin-3-yl)methanamine hydrochloride
• Synonyms: (2-Methoxypyridin-3-yl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD23703574
• PubChem SID: 180678820
• PubChem CID: 71627038

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.460355
• LogD (pH = 7.4): -0.93059635
• Log P: 0.31812808
• Molar Refractivity: 39.1512 cm^3
• Polarizability: 15.31271 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%