3-bromo-2-chloro-6-fluoropyridine

CAS No.：

Cat. No.: SC251296

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Product Name :3-bromo-2-chloro-6-fluoropyridine

Cat. No.: :SC251296

Purity / Specification :—

CAS No. :1211578-75-4

MDL No. :—

Molecular Formula :C₅H₂BrClFN

LogP :2.90

Molecular Weight :210.43

TPSA :12.9

Category :CRO / Contract Research

HSN Code :—

SMILES Code :C1=CC(=NC(=C1Br)Cl)F

Melting Point :—

InChI Key : :XSEYHAGIKTYLEV-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✓ 210.4 Da

LogP ≤ 5✓ 2.90

HBD ≤ 5✓ 0

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

69/100

Moderate — typical building block

Predicted LogP

2.90log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 12.9Å² · 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.