Ethyl 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
CAS No.：
Cat. No.: SC23354
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :Ethyl 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
Cat. No.: :SC23354
Purity / Specification :—
CAS No. :194673-13-7
MDL No. :MFCD22370021
Molecular Formula :C9H8F3NO3
LogP :1.00
Molecular Weight :235.16
TPSA :55.4
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)c1ccc(=O)[nH]c1C(F)(F)F
Melting Point :—
InChI Key : :BJUODISIAKOSHO-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✓ 235.2 Da
LogP ≤ 5✓ 1.00
HBD ≤ 5✓ 1
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i79/100
Good drug-like profile
Predicted LogP
i1.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 55.4Ų · 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.