6-bromo-2-chloro-3-nitropyridine
CAS No.：
Cat. No.: SC25844
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Product Name :6-bromo-2-chloro-3-nitropyridine
Cat. No.: :SC25844
Purity / Specification :—
CAS No. :1430341-84-6
MDL No. :MFCD27923193
Molecular Formula :C5H2BrClN2O2
LogP :2.70
Molecular Weight :237.44
TPSA :58.7
Category :Building Blocks
HSN Code :—
SMILES Code :C1=CC(=NC(=C1[N+](=O)[O-])Cl)Br
Melting Point :—
InChI Key : :ZOETZKWSHCVJQA-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✓ 237.4 Da
LogP ≤ 5✓ 2.70
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i88/100
Excellent drug-like profile
Predicted LogP
i2.70log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 58.7Ų · 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.