3-bromo-5-iodo-1H-pyrrolo[2,3-b]pyridine
CAS No.：
Cat. No.: SC251070
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Product Name :3-bromo-5-iodo-1H-pyrrolo[2,3-b]pyridine
Cat. No.: :SC251070
Purity / Specification :—
CAS No. :900514-06-9
MDL No. :MFCD0845778
Molecular Formula :C7H4BrIN2
LogP :2.70
Molecular Weight :322.93
TPSA :28.7
Category :CRO / Contract Research
HSN Code :—
SMILES Code :C1=C(C=NC2=C1C(=CN2)Br)I
Melting Point :—
InChI Key : :GZXKNOUITBDEAF-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✓ 322.9 Da
LogP ≤ 5✓ 2.70
HBD ≤ 5✓ 1
HBA ≤ 10✓ 1
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i87/100
Excellent drug-like profile
Predicted LogP
i2.70log 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.