4-amino-2-(trifluoromethyl)pyridine-3-carboxylic acid
CAS No.：
Cat. No.: SC23322
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Product Name :4-amino-2-(trifluoromethyl)pyridine-3-carboxylic acid
Cat. No.: :SC23322
Purity / Specification :—
CAS No. :1018678-42-6
MDL No. :MFCD12030585
Molecular Formula :C7H5F3N2O2
LogP :1.20
Molecular Weight :206.12
TPSA :76.2
Category :Building Blocks
HSN Code :—
SMILES Code :Nc1ccnc(C(F)(F)F)c1C(=O)O
Melting Point :—
InChI Key : :UKMOKFFSCVITQO-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✓ 206.1 Da
LogP ≤ 5✓ 1.20
HBD ≤ 5✓ 2
HBA ≤ 10✓ 7
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i1.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 76.2Ų · 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.