2,6-dimethyl-4-oxo-1H-pyridine-3-carboxylic acid
CAS No.：
Cat. No.: SCC-22198
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :2,6-dimethyl-4-oxo-1H-pyridine-3-carboxylic acid
Cat. No.: :SCC-22198
Purity / Specification :—
CAS No. :33259-21-1
MDL No. :MFCD18258494
Molecular Formula :C8H9NO3
LogP :1.20
Molecular Weight :167.16
TPSA :66.4
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1cc(O)c(C(=O)O)c(C)n1
Melting Point :—
InChI Key : :SXBRRFLLEOHXIO-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✓ 167.2 Da
LogP ≤ 5✓ 1.20
HBD ≤ 5✓ 2
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i69/100
Moderate — typical building block
Predicted LogP
i1.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 66.4Ų · 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.