2-amino-5-iodobenzonitrile
CAS No.：
Cat. No.: SC23374
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Product Name :2-amino-5-iodobenzonitrile
Cat. No.: :SC23374
Purity / Specification :—
CAS No. :132131-24-9
MDL No. :MFCD0778743
Molecular Formula :C7H5IN2
LogP :2.20
Molecular Weight :244.03
TPSA :49.8
Category :Building Blocks
HSN Code :—
SMILES Code :N#Cc1cc(I)ccc1N
Melting Point :—
InChI Key : :PRIOKVMBFXTMRV-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✓ 244.0 Da
LogP ≤ 5✓ 2.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i85/100
Excellent drug-like profile
Predicted LogP
i2.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 49.8Ų · 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.