5-(chloromethyl)pyridine-3-carbonitrile;hydrochloride
CAS No.：
Cat. No.: SC24815
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :5-(chloromethyl)pyridine-3-carbonitrile;hydrochloride
Cat. No.: :SC24815
Purity / Specification :—
CAS No. :189936-27-4
MDL No. :MFCD2825225
Molecular Formula :C7H6Cl2N2
LogP :2.11
Molecular Weight :189.04
TPSA :36.7
Category :Building Blocks
HSN Code :—
SMILES Code :Cl.N#Cc1cncc(CCl)c1
Melting Point :—
InChI Key : :JBHXSCWBUYDTDR-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✓ 189.0 Da
LogP ≤ 5✓ 2.11
HBD ≤ 5✓ 1
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i2.11log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 36.7Ų · 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.