[4,6-dichloro-2-(hydroxymethyl)-3-pyridinyl]methanol

CAS No.：

Cat. No.: SC251508

Available on Request

Price on Request

Bulk Inquiry

Product Name :[4,6-dichloro-2-(hydroxymethyl)-3-pyridinyl]methanol

Cat. No.: :SC251508

Purity / Specification :—

CAS No. :1086321-94-9

MDL No. :—

Molecular Formula :C₇H₇Cl₂NO₂

LogP :0.70

Molecular Weight :208.04

TPSA :53.4

Category :CRO / Contract Research

HSN Code :—

SMILES Code :OCc1nc(Cl)cc(Cl)c1CO

Melting Point :—

InChI Key : :OCWRKMIQBYKNLK-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 208.0 Da

LogP ≤ 5✓ 0.70

HBD ≤ 5✓ 2

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

70/100

Good drug-like profile

Predicted LogP

0.70log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 53.4Å² · 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.