Methyl 6-chloro-3-hydroxypyridine-2-carboxylate

CAS No.：

Cat. No.: SC24639

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Product Name :Methyl 6-chloro-3-hydroxypyridine-2-carboxylate

Cat. No.: :SC24639

Purity / Specification :—

CAS No. :1256811-33-2

MDL No. :MFCD18257728

Molecular Formula :C₇H₆ClNO₃

LogP :2.20

Molecular Weight :187.58

TPSA :59.4

Category :Building Blocks

HSN Code :—

SMILES Code :COC(=O)c1nc(Cl)ccc1O

Melting Point :—

InChI Key : :JFJNYLUVRXZPBL-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✓ 187.6 Da

LogP ≤ 5✓ 2.20

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

78/100

Good drug-like profile

Predicted LogP

2.20log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 59.4Å² · 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.