3,5-dimethylpyridine-4-carbonitrile
CAS No.：
Cat. No.: SC24751
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :3,5-dimethylpyridine-4-carbonitrile
Cat. No.: :SC24751
Purity / Specification :—
CAS No. :7584-08-9
MDL No. :MFCD1105263
Molecular Formula :C8H8N2
LogP :1.30
Molecular Weight :132.17
TPSA :36.7
Category :Building Blocks
HSN Code :—
SMILES Code :Cc1cncc(C)c1C#N
Melting Point :—
InChI Key : :LXOPPFCWOVFQDR-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✓ 132.2 Da
LogP ≤ 5✓ 1.30
HBD ≤ 5✓ 0
HBA ≤ 10✓ 2
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i63/100
Moderate — typical building block
Predicted LogP
i1.30log 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.