2-methoxy-N-methylpyridin-3-amine

• ChemBase ID: 277387
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(ncccc1NC)OC
• Canonical SMILES: CNc1cccnc1OC
• InChI: InChI=1S/C7H10N2O/c1-8-6-4-3-5-9-7(6)10-2/h3-5,8H,1-2H3
• InChIKey: WCMIAOBFAXUYMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-methylpyridin-3-amine
• IUPAC Traditional name: 2-methoxy-N-methylpyridin-3-amine
• Synonyms: 2-methoxy-N-methylpyridin-3-amine

Database IDs

• MDL Number: MFCD07786688
• PubChem SID: 164333297
• PubChem CID: 54594626

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.66218054
• LogD (pH = 7.4): 0.6651004
• Log P: 0.66513777
• Molar Refractivity: 40.8716 cm^3
• Polarizability: 14.933445 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.965

Product Information

• Purity: 95%