Ethyl 4-methoxy-2-oxo-1H-pyridine-3-carboxylate
CAS No.：
Cat. No.: SC24642
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Product Name :Ethyl 4-methoxy-2-oxo-1H-pyridine-3-carboxylate
Cat. No.: :SC24642
Purity / Specification :—
CAS No. :87853-69-8
MDL No. :MFCD24561904
Molecular Formula :C9H11NO4
LogP :0.30
Molecular Weight :197.19
TPSA :64.6
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)c1c(OC)cc[nH]c1=O
Melting Point :—
InChI Key : :LQJQPNOIYGFIMR-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✓ 197.2 Da
LogP ≤ 5✓ 0.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i68/100
Moderate — typical building block
Predicted LogP
i0.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 64.6Ų · 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.