6-bromo-1H-pyrrolo[2,3-b]pyridine

CAS No.：

Cat. No.: SC251331

Available on Request

Price on Request

Bulk Inquiry

Product Name :6-bromo-1H-pyrrolo[2,3-b]pyridine

Cat. No.: :SC251331

Purity / Specification :—

CAS No. :143468-13-7

MDL No. :—

Molecular Formula :C₇H₅BrN₂

LogP :2.30

Molecular Weight :197.03

TPSA :28.7

Category :CRO / Contract Research

HSN Code :—

SMILES Code :C1=CC(=NC2=C1C=CN2)Br

Melting Point :—

InChI Key : :LKXJGVGBEDEAAW-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 197.0 Da

LogP ≤ 5✓ 2.30

HBD ≤ 5✓ 1

HBA ≤ 10✓ 1

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

70/100

Good drug-like profile

Predicted LogP

2.30log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 28.7Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.