6-methoxy-3-methyl-3H-imidazo[4,5-b]pyridine

• ChemBase ID: 45004
• Molecular Formular: C8H9N3O
• Molecular Mass: 163.17656
• Monoisotopic Mass: 163.07456192
• SMILES: c1(cnc2c(c1)ncn2C)OC
• Canonical SMILES: COc1cnc2c(c1)ncn2C
• InChI: InChI=1S/C8H9N3O/c1-11-5-10-7-3-6(12-2)4-9-8(7)11/h3-5H,1-2H3
• InChIKey: ORZZNLBBYXYCMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-methyl-3H-imidazo[4,5-b]pyridine
• IUPAC Traditional name: 6-methoxy-3-methylimidazo[4,5-b]pyridine
• Synonyms: 6-Methoxy-3-methyl-3H-imidazo[4,5-b]pyridine; 6-Methoxy-3-methyl-3H-imidazo[4,5-b]pyridine

Database IDs

• MDL Number: MFCD12922822
• PubChem SID: 162049767
• PubChem CID: 46737970

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.4749172
• LogD (pH = 7.4): 0.47529364
• Log P: 0.47529843
• Molar Refractivity: 44.1241 cm^3
• Polarizability: 17.369852 Å^3
• Polar Surface Area: 39.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Empirical Formula (Hill Notation): C8H9N3O

DETAILS

Sigma Aldrich - ADE001240

Other Notes
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