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

• ChemBase ID: 33024
• Molecular Formular: C7H5ClN2
• Molecular Mass: 152.581
• Monoisotopic Mass: 152.01412585
• SMILES: c1nc(c2c(c1)cc[nH]2)Cl
• Canonical SMILES: Clc1nccc2c1[nH]cc2
• InChI: InChI=1S/C7H5ClN2/c8-7-6-5(1-3-9-6)2-4-10-7/h1-4,9H
• InChIKey: HOHKYYCVFMEBGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-chloro-1H-pyrrolo[2,3-c]pyridine
• IUPAC Traditional name: 7-chloro-1H-pyrrolo[2,3-c]pyridine
• Synonyms: 7-Chloro-1H-pyrrolo[2,3-c]pyridine; 7-Chloro-1H-pyrrolo[2,3-c]pyridine; 7-Chloro-1H-pyrrolo[2,3-c]pyridine; 7-Chloro-6-azaindole; 7-氯-6-氮杂吲哚

Database IDs

• CAS Number: 357263-41-3
• MDL Number: MFCD03839905
• PubChem SID: 160996331
• PubChem CID: 11435048

CALCULATED PROPERTIES

• Acid pKa: 13.713135
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6784707
• LogD (pH = 7.4): 1.678556
• Log P: 1.6785573
• Molar Refractivity: 40.8537 cm^3
• Polarizability: 16.582247 Å^3
• Polar Surface Area: 28.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.972

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: >97%; 95%; 97%
• Empirical Formula (Hill Notation): C7H5ClN2

DETAILS

Sigma Aldrich - ADE001012

Other Notes
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