[5-chloro-6-(2-methylpropoxy)pyridin-3-yl]methanamine

• ChemBase ID: 245821
• Molecular Formular: C10H15ClN2O
• Molecular Mass: 214.6919
• Monoisotopic Mass: 214.08729079
• SMILES: c1(ncc(cc1Cl)CN)OCC(C)C
• Canonical SMILES: NCc1cnc(c(c1)Cl)OCC(C)C
• InChI: InChI=1S/C10H15ClN2O/c1-7(2)6-14-10-9(11)3-8(4-12)5-13-10/h3,5,7H,4,6,12H2,1-2H3
• InChIKey: FNKSKYRUJIGQDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-chloro-6-(2-methylpropoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-chloro-6-(2-methylpropoxy)pyridin-3-yl]methanamine
• Synonyms: [5-chloro-6-(2-methylpropoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD16704365
• PubChem SID: 164301731
• PubChem CID: 62292493

CALCULATED PROPERTIES

• Molar Refractivity: 57.7002 cm^3
• Polarizability: 22.74555 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7560664
• LogD (pH = 7.4): 0.50546634
• Log P: 2.166476

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.398

Product Information

• Purity: 95%