6-methoxy-1H-pyridin-2-one
CAS No.：
Cat. No.: SC24643
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Product Name :6-methoxy-1H-pyridin-2-one
Cat. No.: :SC24643
Purity / Specification :—
CAS No. :22385-36-0
MDL No. :MFCD15143445
Molecular Formula :C6H7NO2
LogP :0.40
Molecular Weight :125.13
TPSA :38.3
Category :Building Blocks
HSN Code :—
SMILES Code :COc1cccc(O)n1
Melting Point :—
InChI Key : :DEXSUIQBIMPSNG-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✓ 125.1 Da
LogP ≤ 5✓ 0.40
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i55/100
Moderate — typical building block
Predicted LogP
i0.40log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 38.3Ų · 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.