5-methoxypyridin-2-amine hydrochloride

• ChemBase ID: 283159
• Molecular Formular: C6H9ClN2O
• Molecular Mass: 160.60146
• Monoisotopic Mass: 160.0403406
• SMILES: n1c(N)ccc(c1)OC.Cl
• Canonical SMILES: COc1ccc(nc1)N.Cl
• InChI: InChI=1S/C6H8N2O.ClH/c1-9-5-2-3-6(7)8-4-5;/h2-4H,1H3,(H2,7,8);1H
• InChIKey: OGWHNAHBONLELP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypyridin-2-amine hydrochloride
• IUPAC Traditional name: 5-methoxypyridin-2-amine hydrochloride
• Synonyms: 5-methoxypyridin-2-amine hydrochloride

Database IDs

• MDL Number: MFCD20441755
• PubChem SID: 180668690
• PubChem CID: 54595644

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3143005
• LogD (pH = 7.4): 0.34056833
• Log P: 0.3634337
• Molar Refractivity: 35.3782 cm^3
• Polarizability: 13.0909605 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 136 - 138°C
• Hydrophobicity(logP): 0.762

Product Information

• Purity: 95%