5-(hydroxymethyl)pyridine-3-carbonitrile
CAS No.：
Cat. No.: SC24812
Available on Request
Price on Request
Contact us for pricing, MOQ, and lead time
Product Name :5-(hydroxymethyl)pyridine-3-carbonitrile
Cat. No.: :SC24812
Purity / Specification :—
CAS No. :135124-71-9
MDL No. :MFCD0736789
Molecular Formula :C7H6N2O
LogP :-0.30
Molecular Weight :134.14
TPSA :56.9
Category :Building Blocks
HSN Code :—
SMILES Code :N#Cc1cncc(CO)c1
Melting Point :—
InChI Key : :MNMDVGJZONSKMO-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✓ 134.1 Da
LogP ≤ 5✓ -0.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i56/100
Moderate — typical building block
Predicted LogP
i-0.30log units
Hydrophilic
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 56.9Ų · 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.