4-chloro-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CAS No.：
Cat. No.: SC20100
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Product Name :4-chloro-2-fluoro-7H-pyrrolo[2,3-d]pyrimidine
Cat. No.: :SC20100
Purity / Specification :—
CAS No. :1206825-32-2
MDL No. :MFCD16249869
Molecular Formula :C6H3ClFN3
LogP :2.10
Molecular Weight :171.56
TPSA :41.6
Category :Building Blocks
HSN Code :—
SMILES Code :Fc1nc(Cl)c2cc[nH]c2n1
Melting Point :—
InChI Key : :GIGCDKYSCGJVEW-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✓ 171.6 Da
LogP ≤ 5✓ 2.10
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i72/100
Good drug-like profile
Predicted LogP
i2.10log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 41.6Ų · 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.