5-methoxy-4-methylpyridin-3-amine

• ChemBase ID: 52699
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(cncc(c1C)N)OC
• Canonical SMILES: COc1cncc(c1C)N
• InChI: InChI=1S/C7H10N2O/c1-5-6(8)3-9-4-7(5)10-2/h3-4H,8H2,1-2H3
• InChIKey: ISYJOJQQEHYXFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-4-methylpyridin-3-amine
• IUPAC Traditional name: 5-methoxy-4-methylpyridin-3-amine
• Synonyms: 5-Methoxy-4-methylpyridin-3-amine

Database IDs

• CAS Number: 77903-28-7
• MDL Number: MFCD14708216
• PubChem SID: 162057462
• PubChem CID: 12706338

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3402882
• LogD (pH = 7.4): 0.25577116
• Log P: 0.28239757
• Molar Refractivity: 40.1059 cm^3
• Polarizability: 14.854081 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%