3-chloro-6-methoxy-1H-pyridin-2-one

CAS No.：

Cat. No.: SC24644

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Product Name :3-chloro-6-methoxy-1H-pyridin-2-one

Cat. No.: :SC24644

Purity / Specification :—

CAS No. :1261598-78-0

MDL No. :MFCD18415695

Molecular Formula :C₆H₆ClNO₂

LogP :1.20

Molecular Weight :159.57

TPSA :38.3

Category :Building Blocks

HSN Code :—

SMILES Code :COc1ccc(Cl)c(O)n1

Melting Point :—

InChI Key : :WSILUQLVDZCTNA-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 159.6 Da

LogP ≤ 5✓ 1.20

HBD ≤ 5✓ 1

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

64/100

Moderate — typical building block

Predicted LogP

1.20log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 38.3Å² · 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.