Ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate
CAS No.：
Cat. No.: SC23357
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Product Name :Ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate
Cat. No.: :SC23357
Purity / Specification :—
CAS No. :194673-12-6
MDL No. :MFCD00975005
Molecular Formula :C9H10F3NO3
LogP :0.80
Molecular Weight :237.18
TPSA :55.4
Category :Building Blocks
HSN Code :—
SMILES Code :CCOC(=O)C1=C(C(F)(F)F)NC(=O)CC1
Melting Point :—
InChI Key : :QTHTZBDPNNJDRG-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✓ 237.2 Da
LogP ≤ 5✓ 0.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 6
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i77/100
Good drug-like profile
Predicted LogP
i0.80log 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.