7-bromo-1H-pyrrolo[3,2-c]pyridine
CAS No.：
Cat. No.: SC18005
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Product Name :7-bromo-1H-pyrrolo[3,2-c]pyridine
Cat. No.: :SC18005
Purity / Specification :—
CAS No. :902837-42-7
MDL No. :MFCD07781153
Molecular Formula :C7H5BrN2
LogP :1.70
Molecular Weight :197.03
TPSA :28.7
Category :Custom Synthesis
HSN Code :—
SMILES Code :Brc1cncc2cc[nH]c12
Melting Point :—
InChI Key : :MVUCSWVQBDCPCY-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 197.0 Da
LogP ≤ 5✓ 1.70
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i1.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 28.7Ų · 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.