5-bromo-2,6-dimethylpyridin-3-ol
CAS No.：
Cat. No.: SC251650
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Product Name :5-bromo-2,6-dimethylpyridin-3-ol
Cat. No.: :SC251650
Purity / Specification :—
CAS No. :137778-12-2
MDL No. :—
Molecular Formula :C7H8BrNO
LogP :2.00
Molecular Weight :202.05
TPSA :33.1
Category :Drug Discovery
HSN Code :—
SMILES Code :Cc1nc(C)c(Br)cc1O
Melting Point :—
InChI Key : :GQBILYGKQVJSDH-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✓ 202.1 Da
LogP ≤ 5✓ 2.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i2.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 33.1Ų · 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.