5-cyclopropyl-3-fluoropyridine-2-carbonitrile
CAS No.：
Cat. No.: SC251101
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Product Name :5-cyclopropyl-3-fluoropyridine-2-carbonitrile
Cat. No.: :SC251101
Purity / Specification :—
CAS No. :1286776-51-9
MDL No. :—
Molecular Formula :C9H7FN2
LogP :1.90
Molecular Weight :162.17
TPSA :36.7
Category :CRO / Contract Research
HSN Code :—
SMILES Code :N#Cc1ncc(C2CC2)cc1F
Melting Point :—
InChI Key : :JOYASCABNLXOSC-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✓ 162.2 Da
LogP ≤ 5✓ 1.90
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i70/100
Good drug-like profile
Predicted LogP
i1.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 36.7Ų · 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.