3-ethylpyridin-2-amine

• ChemBase ID: 168741
• Molecular Formular: C7H10N2
• Molecular Mass: 122.1677
• Monoisotopic Mass: 122.08439833
• SMILES: c1cnc(c(c1)CC)N
• Canonical SMILES: CCc1cccnc1N
• InChI: InChI=1S/C7H10N2/c1-2-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3,(H2,8,9)
• InChIKey: WTAZAHLROWIQRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylpyridin-2-amine
• IUPAC Traditional name: 3-ethylpyridin-2-amine
• Synonyms: 2-Amino-3-ethylpyridine; 3-Ethylpyridin-2-amine; 3-Ethyl-2-pyridinamine; 3-ethylpyridin-2-amine

Database IDs

• CAS Number: 42753-67-3
• MDL Number: MFCD07774120
• PubChem SID: 162262873
• PubChem CID: 11051636

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.16879374
• LogD (pH = 7.4): 1.2534583
• Log P: 1.479095
• Molar Refractivity: 38.5572 cm^3
• Polarizability: 14.17789 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38 - 40°C
• Hydrophobicity(logP): 1.296

Product Information

• Purity: 95%; 96%

DETAILS

Toronto Research Chemicals - E925595

A pyridine derivative used in the preparation of glutaramides as potential inhibitors of neutral endopeptidase.

REFERENCES

• Pryde, D.C. et al.: J. med. Chem., 49, 4409 (2006)
• Maw, G.N. et al.: Chem. Biol. Drug Des., 67, 74 (2006)