5-bromopyrazine-2-carbonitrile
CAS No.：
Cat. No.: SC24806
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Product Name :5-bromopyrazine-2-carbonitrile
Cat. No.: :SC24806
Purity / Specification :—
CAS No. :221295-04-1
MDL No. :MFCD0990965
Molecular Formula :C5H2BrN3
LogP :1.00
Molecular Weight :184.00
TPSA :49.6
Category :Building Blocks
HSN Code :—
SMILES Code :N#Cc1cnc(Br)cn1
Melting Point :—
InChI Key : :ZPBNABIKZKTQQH-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✓ 184.0 Da
LogP ≤ 5✓ 1.00
HBD ≤ 5✓ 0
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i1.00log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 49.6Ų · 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.