methyl 6-(aminomethyl)-2-ethylpyridine-3-carboxylate

• ChemBase ID: 249031
• Molecular Formular: C10H14N2O2
• Molecular Mass: 194.23036
• Monoisotopic Mass: 194.1055277
• SMILES: c1(c(nc(cc1)CN)CC)C(=O)OC
• Canonical SMILES: CCc1nc(CN)ccc1C(=O)OC
• InChI: InChI=1S/C10H14N2O2/c1-3-9-8(10(13)14-2)5-4-7(6-11)12-9/h4-5H,3,6,11H2,1-2H3
• InChIKey: UQLFFUGKGSXEIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304941
• PubChem CID: 71758641

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8931979
• LogD (pH = 7.4): -0.28825206
• Log P: 0.7981967
• Molar Refractivity: 53.096 cm^3
• Polarizability: 20.825476 Å^3
• Polar Surface Area: 65.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.747

Product Information

• Purity: 95%