5-methoxy-2-methylpyridin-3-amine

• ChemBase ID: 801940
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(c(cc(c1)OC)N)C
• Canonical SMILES: COc1cnc(c(c1)N)C
• InChI: InChI=1S/C7H10N2O/c1-5-7(8)3-6(10-2)4-9-5/h3-4H,8H2,1-2H3
• InChIKey: NIZHNEQMBILCQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-methylpyridin-3-amine
• IUPAC Traditional name: 5-methoxy-2-methylpyridin-3-amine
• Synonyms: 5-METHOXY-2-METHYLPYRIDIN-3-AMINE

Database IDs

• CAS Number: 1104455-29-9

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.58843756
• LogD (pH = 7.4): -0.11179197
• Log P: -0.09965366
• Molar Refractivity: 39.6562 cm^3
• Polarizability: 14.854581 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%