7H-pyrrolo[2,3-b]pyridine

• ChemBase ID: 286891
• Molecular Formular: C7H6N2
• Molecular Mass: 118.13594
• Monoisotopic Mass: 118.0530982
• SMILES: [nH]1cccc2ccnc12
• Canonical SMILES: c1c[nH]c2c(c1)ccn2
• InChI: InChI=1S/C7H6N2/c1-2-6-3-5-9-7(6)8-4-1/h1-5H,(H,8,9)
• InChIKey: MVXVYAKCVDQRLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7H-pyrrolo[2,3-b]pyridine
• IUPAC Traditional name: 7H-pyrrolo[2,3-b]pyridine
• Synonyms: 7-Azaindole

Database IDs

• CAS Number: 271-63-6
• MDL Number: MFCD00005606
• PubChem SID: 180672422
• PubChem CID: 9222

CALCULATED PROPERTIES

• Acid pKa: 12.170635
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.2214198
• LogD (pH = 7.4): 1.2217855
• Log P: 1.2217975
• Molar Refractivity: 34.9402 cm^3
• Polarizability: 13.987696 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%