3-Bromo-8-methylimidazo[1,2-α] pyridine-6-carboxylic acid, ≥98.98%
CAS No.：
Cat. No.: SC261748
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Product Name :3-Bromo-8-methylimidazo[1,2-α] pyridine-6-carboxylic acid
Cat. No.: :SC261748
Purity / Specification :≥98.98%
CAS No. :2167072-16-2
MDL No. :—
Molecular Formula :C9H7BrN2O2
LogP :2.10
Molecular Weight :255.07
TPSA :54.6
Category :CDMO
HSN Code :—
SMILES Code :Cc1cc(C(=O)O)cn2c(Br)cnc12
Melting Point :—
InChI Key : :CYABGVPMMSKLRT-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✓ 255.1 Da
LogP ≤ 5✓ 2.10
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i88/100
Excellent drug-like profile
Predicted LogP
i2.10log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 54.6Ų · 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.