2-fluoro-6-methoxypyridine-4-carbonitrile

CAS No.：

Cat. No.: SC261707

Available on Request

Price on Request

Bulk Inquiry

Product Name :2-fluoro-6-methoxypyridine-4-carbonitrile

Cat. No.: :SC261707

Purity / Specification :—

CAS No. :1207665-43-7

MDL No. :—

Molecular Formula :C₇H₅FN₂O

LogP :1.30

Molecular Weight :152.13

TPSA :45.9

Category :Drug Discovery

HSN Code :—

SMILES Code :COc1cc(C#N)cc(F)n1

Melting Point :—

InChI Key : :AQVQNAIYDBITQF-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✓ 152.1 Da

LogP ≤ 5✓ 1.30

HBD ≤ 5✓ 0

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

69/100

Moderate — typical building block

Predicted LogP

1.30log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 45.9Å² · 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.