2-bromo-3-methyl-5-(trifluoromethoxy)pyridine

CAS No.：

Cat. No.: SC261678

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Product Name :2-bromo-3-methyl-5-(trifluoromethoxy)pyridine

Cat. No.: :SC261678

Purity / Specification :—

CAS No. :1315364-35-2

MDL No. :—

Molecular Formula :C₇H₅BrF₃NO

LogP :3.40

Molecular Weight :256.02

TPSA :22.1

Category :Drug Discovery

HSN Code :—

SMILES Code :CC1=CC(=CN=C1Br)OC(F)(F)F

Melting Point :—

InChI Key : :VZHUKBBZXRQIRF-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✓ 256.0 Da

LogP ≤ 5✓ 3.40

HBD ≤ 5✓ 0

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

76/100

Good drug-like profile

Predicted LogP

3.40log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 22.1Å² · 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.