2-chloro-4-methoxy-5-nitropyridine
CAS No.：
Cat. No.: SC251624
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Product Name :2-chloro-4-methoxy-5-nitropyridine
Cat. No.: :SC251624
Purity / Specification :—
CAS No. :607373-83-1
MDL No. :—
Molecular Formula :C6H5ClN2O3
LogP :1.60
Molecular Weight :188.57
TPSA :67.9
Category :CRO / Contract Research
HSN Code :—
SMILES Code :COc1cc(Cl)ncc1[N+](=O)[O-]
Melting Point :—
InChI Key : :IDLQBYAYVNBGGL-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✓ 188.6 Da
LogP ≤ 5✓ 1.60
HBD ≤ 5✓ 0
HBA ≤ 10✓ 4
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i78/100
Good drug-like profile
Predicted LogP
i1.60log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 67.9Ų · 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.