methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate hydrochloride

• ChemBase ID: 248455
• Molecular Formular: C11H15ClN2O2
• Molecular Mass: 242.702
• Monoisotopic Mass: 242.08220541
• SMILES: c1(c(nc(cc1)CN)C1CC1)C(=O)OC.Cl
• Canonical SMILES: NCc1ccc(c(n1)C1CC1)C(=O)OC.Cl
• InChI: InChI=1S/C11H14N2O2.ClH/c1-15-11(14)9-5-4-8(6-12)13-10(9)7-2-3-7;/h4-5,7H,2-3,6,12H2,1H3;1H
• InChIKey: SRRAPTHRFGJCOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate hydrochloride
• IUPAC Traditional name: methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate hydrochloride
• Synonyms: methyl 6-(aminomethyl)-2-cyclopropylpyridine-3-carboxylate hydrochloride

Database IDs

• PubChem SID: 164304365
• PubChem CID: 71758500

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8115598
• LogD (pH = 7.4): -0.20506501
• Log P: 0.8774571
• Molar Refractivity: 55.8683 cm^3
• Polarizability: 21.939459 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.662

Product Information

• Purity: 95%