7-chloro-1H-pyrrolo[3,2-b]pyridine

• ChemBase ID: 68224
• Molecular Formular: C7H5ClN2
• Molecular Mass: 152.581
• Monoisotopic Mass: 152.01412585
• SMILES: [nH]1ccc2nccc(c12)Cl
• Canonical SMILES: Clc1ccnc2c1[nH]cc2
• InChI: InChI=1S/C7H5ClN2/c8-5-1-3-9-6-2-4-10-7(5)6/h1-4,10H
• InChIKey: ZBEYLQBHTDNDDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1H-pyrrolo[3,2-b]pyridine
• IUPAC Traditional name: 7-chloro-1H-pyrrolo[3,2-b]pyridine
• Synonyms: 7-Chloro-4-azaindole

Database IDs

• CAS Number: 357263-48-0
• MDL Number: MFCD08234945
• PubChem SID: 162033956
• PubChem CID: 22476236

CALCULATED PROPERTIES

• Acid pKa: 13.4787245
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.838397
• LogD (pH = 7.4): 1.844156
• Log P: 1.8442304
• Molar Refractivity: 39.4204 cm^3
• Polarizability: 16.526623 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+%; 98%