6-methoxy-2-methylpyridin-3-amine

• ChemBase ID: 67452
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: c1(ccc(c(n1)C)N)OC
• Canonical SMILES: COc1ccc(c(n1)C)N
• InChI: InChI=1S/C7H10N2O/c1-5-6(8)3-4-7(9-5)10-2/h3-4H,8H2,1-2H3
• InChIKey: DMVBGEPFAZKPAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-2-methylpyridin-3-amine
• IUPAC Traditional name: 6-methoxy-2-methylpyridin-3-amine
• Synonyms: 5-Amino-2-methoxy-6-methylpyridine; 6-methoxy-2-methylpyridin-3-amine

Database IDs

• CAS Number: 52090-56-9
• MDL Number: MFCD03095090
• PubChem SID: 162033187
• PubChem CID: 10290828

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4746946
• LogD (pH = 7.4): 0.49454468
• Log P: 0.49480388
• Molar Refractivity: 39.9697 cm^3
• Polarizability: 14.8568535 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.611

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%