6-(difluoromethyl)-4-fluoropyridin-2-amine
CAS No.：
Cat. No.: SC251076
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Product Name :6-(difluoromethyl)-4-fluoropyridin-2-amine
Cat. No.: :SC251076
Purity / Specification :—
CAS No. :1806761-98-7
MDL No. :—
Molecular Formula :C6H5F3N2
LogP :1.30
Molecular Weight :162.12
TPSA :38.9
Category :CRO / Contract Research
HSN Code :—
SMILES Code :Nc1cc(F)cc(C(F)F)n1
Melting Point :—
InChI Key : :BGRXMTPFBJZOOV-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 162.1 Da
LogP ≤ 5✓ 1.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i66/100
Moderate — typical building block
Predicted LogP
i1.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 38.9Ų · 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.