2-(6-fluoro-2H-indazol-3-yl)acetonitrile
CAS No.：
Cat. No.: SC251637
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Product Name :2-(6-fluoro-2H-indazol-3-yl)acetonitrile
Cat. No.: :SC251637
Purity / Specification :—
CAS No. :1360892-92-7
MDL No. :—
Molecular Formula :C9H6FN3
LogP :1.30
Molecular Weight :175.17
TPSA :52.5
Category :Drug Discovery
HSN Code :—
SMILES Code :N#CCc1n[nH]c2cc(F)ccc12
Melting Point :—
InChI Key : :IGWDZOAOISASKI-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✓ 175.2 Da
LogP ≤ 5✓ 1.30
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i71/100
Good drug-like profile
Predicted LogP
i1.30log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 52.5Ų · 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.