2-methoxy-5-methylpyridin-3-amine

• ChemBase ID: 285285
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(c(cc(c1)C)N)OC
• Canonical SMILES: COc1ncc(cc1N)C
• InChI: InChI=1S/C7H10N2O/c1-5-3-6(8)7(10-2)9-4-5/h3-4H,8H2,1-2H3
• InChIKey: MHUGUFYRWAUTBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-methylpyridin-3-amine
• IUPAC Traditional name: 2-methoxy-5-methylpyridin-3-amine
• Synonyms: 2-methoxy-5-methylpyridin-3-amine; 2-METHOXY-5-METHYL-3-PYRIDINAMINE

Database IDs

• CAS Number: 179677-17-9
• MDL Number: MFCD13185338
• PubChem SID: 180670816
• PubChem CID: 23404935

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.86828023
• LogD (pH = 7.4): 0.876746
• Log P: 0.8768551
• Molar Refractivity: 40.4194 cm^3
• Polarizability: 14.857927 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77 - 79°C
• Hydrophobicity(logP): 1.661

Product Information

• Purity: 95%; 98%