6-amino-2-chloropyridine-3-carbonitrile
CAS No.：
Cat. No.: SC24521
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Product Name :6-amino-2-chloropyridine-3-carbonitrile
Cat. No.: :SC24521
Purity / Specification :—
CAS No. :53554-20-4
MDL No. :MFCD18802573
Molecular Formula :C6H4ClN3
LogP :1.20
Molecular Weight :153.57
TPSA :62.7
Category :Building Blocks
HSN Code :—
SMILES Code :N#Cc1ccc(N)nc1Cl
Melting Point :—
InChI Key : :DQTBPANHSUIJIF-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✓ 153.6 Da
LogP ≤ 5✓ 1.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i1.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 62.7Ų · 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.