Methyl 5-bromo-3-fluoropyridine-2-carboxylate
CAS No.：
Cat. No.: SC24717
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Product Name :Methyl 5-bromo-3-fluoropyridine-2-carboxylate
Cat. No.: :SC24717
Purity / Specification :—
CAS No. :1211538-72-5
MDL No. :—
Molecular Formula :C7H5BrFNO2
LogP :1.80
Molecular Weight :234.02
TPSA :39.2
Category :Building Blocks
HSN Code :—
SMILES Code :COC(=O)c1ncc(Br)cc1F
Melting Point :—
InChI Key : :UWDDDYSSTSVUJK-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✓ 234.0 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i82/100
Good drug-like profile
Predicted LogP
i1.80log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 39.2Ų · 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.