4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid
CAS No.：
Cat. No.: SC24640
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Product Name :4-methoxy-2-oxo-1H-pyridine-3-carboxylic acid
Cat. No.: :SC24640
Purity / Specification :—
CAS No. :87853-70-1
MDL No. :MFCD20654516
Molecular Formula :C7H7NO4
LogP :0.20
Molecular Weight :169.14
TPSA :75.6
Category :Building Blocks
HSN Code :—
SMILES Code :COc1cc[nH]c(=O)c1C(=O)O
Melting Point :—
InChI Key : :BERLCVCBOXAQDJ-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✓ 169.1 Da
LogP ≤ 5✓ 0.20
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i62/100
Moderate — typical building block
Predicted LogP
i0.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 75.6Ų · 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.