7-methyl-1H-pyrrolo[2,3-c]pyridine

• ChemBase ID: 63998
• Molecular Formular: C8H8N2
• Molecular Mass: 132.16252
• Monoisotopic Mass: 132.06874827
• SMILES: c1cc2cc[nH]c2c(C)n1
• Canonical SMILES: Cc1nccc2c1[nH]cc2
• InChI: InChI=1S/C8H8N2/c1-6-8-7(2-4-9-6)3-5-10-8/h2-5,10H,1H3
• InChIKey: VJGXVQYLRZDTLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-1H-pyrrolo[2,3-c]pyridine
• IUPAC Traditional name: 7-methyl-1H-pyrrolo[2,3-c]pyridine
• Synonyms: 7-Methyl-6-azaindole

Database IDs

• CAS Number: 480-98-8
• MDL Number: MFCD11840340
• PubChem SID: 162029737
• PubChem CID: 12306903

CALCULATED PROPERTIES

• Acid pKa: 15.11977
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.20325372
• LogD (pH = 7.4): 0.95308983
• Log P: 0.98570555
• Molar Refractivity: 39.5791 cm^3
• Polarizability: 16.470245 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%