2,3-difluoropyridine-4-carboxylic acid
CAS No.：
Cat. No.: SC251098
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Product Name :2,3-difluoropyridine-4-carboxylic acid
Cat. No.: :SC251098
Purity / Specification :—
CAS No. :851386-31-7
MDL No. :MFCD0903117
Molecular Formula :C6H3F2NO2
LogP :0.90
Molecular Weight :159.09
TPSA :50.2
Category :CRO / Contract Research
HSN Code :—
SMILES Code :O=C(O)c1ccnc(F)c1F
Melting Point :—
InChI Key : :FFGHMEKFPCGYEG-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✓ 159.1 Da
LogP ≤ 5✓ 0.90
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i66/100
Moderate — typical building block
Predicted LogP
i0.90log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 50.2Ų · 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.