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

• ChemBase ID: 292523
• Molecular Formular: C9H10N2
• Molecular Mass: 146.1891
• Monoisotopic Mass: 146.08439833
• SMILES: Cc1c(C)c2c([nH]1)cncc2
• Canonical SMILES: Cc1[nH]c2c(c1C)ccnc2
• InChI: InChI=1S/C9H10N2/c1-6-7(2)11-9-5-10-4-3-8(6)9/h3-5,11H,1-2H3
• InChIKey: VLAGWEBMDGWPNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 25796-97-8
• PubChem SID: 180678054
• PubChem CID: 60026828

CALCULATED PROPERTIES

• Acid pKa: 15.821449
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2742398
• LogD (pH = 7.4): 1.5614392
• Log P: 1.5673181
• Molar Refractivity: 45.1785 cm^3
• Polarizability: 18.232883 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%