5-(3-methoxyphenyl)pyridin-2-amine

• ChemBase ID: 292092
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: Nc1ncc(c2cccc(OC)c2)cc1
• Canonical SMILES: COc1cccc(c1)c1ccc(nc1)N
• InChI: InChI=1S/C12H12N2O/c1-15-11-4-2-3-9(7-11)10-5-6-12(13)14-8-10/h2-8H,1H3,(H2,13,14)
• InChIKey: UVYHJYCQMANHPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methoxyphenyl)pyridin-2-amine
• IUPAC Traditional name: 5-(3-methoxyphenyl)pyridin-2-amine
• Synonyms: 5-(3-Methoxyphenyl)pyridin-2-amine; 5-(3-METHOXYPHENYL)-2-PYRIDINAMINE

Database IDs

• CAS Number: 893738-18-6
• MDL Number: MFCD06802136
• PubChem SID: 180677623
• PubChem CID: 20099809

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2144133
• LogD (pH = 7.4): 1.9772222
• Log P: 2.010659
• Molar Refractivity: 60.5144 cm^3
• Polarizability: 24.076939 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%