1,2-dimethyl-1H-pyrrolo[3,2-c]pyridine

• ChemBase ID: 292534
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: Cn1c(C)cc2cnccc12
• Canonical SMILES: Cn1c(C)cc2c1ccnc2
• InChI: InChI=1S/C9H10N2/c1-7-5-8-6-10-4-3-9(8)11(7)2/h3-6H,1-2H3
• InChIKey: JNZZRIPJDDRDAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-1H-pyrrolo[3,2-c]pyridine
• IUPAC Traditional name: 1,2-dimethylpyrrolo[3,2-c]pyridine
• Synonyms: 1,2-Dimethyl-1H-pyrrolo[3,2-c]pyridine

Database IDs

• CAS Number: 680859-99-8
• PubChem SID: 180678065
• PubChem CID: 20817285

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.29876384
• LogD (pH = 7.4): 0.6047237
• Log P: 1.2775728
• Molar Refractivity: 45.034 cm^3
• Polarizability: 18.226324 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%