6-methoxypyridine-2,3-diamine

• ChemBase ID: 283375
• Molecular Formular: C6H9N3O
• Molecular Mass: 139.15516
• Monoisotopic Mass: 139.07456192
• SMILES: n1c(c(ccc1OC)N)N
• Canonical SMILES: COc1ccc(c(n1)N)N
• InChI: InChI=1S/C6H9N3O/c1-10-5-3-2-4(7)6(8)9-5/h2-3H,7H2,1H3,(H2,8,9)
• InChIKey: WEPOCTWSRWLQLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxypyridine-2,3-diamine
• IUPAC Traditional name: 6-methoxypyridine-2,3-diamine
• Synonyms: 6-methoxypyridine-2,3-diamine; 2,3-DIAMINO-6-METHOXYPYRIDINE

Database IDs

• CAS Number: 28020-38-4
• MDL Number: MFCD06658229
• PubChem SID: 180668906
• PubChem CID: 3023920

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.03731546
• LogD (pH = 7.4): 0.12641023
• Log P: 0.12896527
• Molar Refractivity: 40.3921 cm^3
• Polarizability: 14.247932 Å^3
• Polar Surface Area: 74.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.242

Product Information

• Purity: 95%; 98%