4-amino-6-methoxypyridine-3-carbonitrile

• ChemBase ID: 799141
• Molecular Formular: C7H7N3O
• Molecular Mass: 149.14998
• Monoisotopic Mass: 149.05891186
• SMILES: c1(c(cnc(c1)OC)C#N)N
• Canonical SMILES: COc1ncc(c(c1)N)C#N
• InChI: InChI=1S/C7H7N3O/c1-11-7-2-6(9)5(3-8)4-10-7/h2,4H,1H3,(H2,9,10)
• InChIKey: MHADNBHPAYWOFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-6-methoxypyridine-3-carbonitrile
• IUPAC Traditional name: 4-amino-6-methoxypyridine-3-carbonitrile
• Synonyms: 4-amino-6-methoxynicotinonitrile

Database IDs

• CAS Number: 686278-89-7

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.21768954
• LogD (pH = 7.4): 0.21950667
• Log P: 0.21952988
• Molar Refractivity: 41.0998 cm^3
• Polarizability: 14.940491 Å^3
• Polar Surface Area: 71.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%