5-methoxypyridin-3-amine

• ChemBase ID: 52698
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(cncc(c1)N)OC
• Canonical SMILES: COc1cc(N)cnc1
• InChI: InChI=1S/C6H8N2O/c1-9-6-2-5(7)3-8-4-6/h2-4H,7H2,1H3
• InChIKey: CTQPCFFQBYXOAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxypyridin-3-amine
• IUPAC Traditional name: 5-methoxypyridin-3-amine
• Synonyms: 5-Methoxypyridin-3-amine; 3-Amino-5-methoxypyridine

Database IDs

• CAS Number: 64436-92-6
• MDL Number: MFCD09701369
• PubChem SID: 162057461
• PubChem CID: 12703595

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.42810103
• LogD (pH = 7.4): -0.23437044
• Log P: -0.23102383
• Molar Refractivity: 35.0647 cm^3
• Polarizability: 13.092204 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+%; 98%