2-(2,6-difluorophenyl)pyridine-4-carboxylic acid
CAS No.：
Cat. No.: SC23208
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Product Name :2-(2,6-difluorophenyl)pyridine-4-carboxylic acid
Cat. No.: :SC23208
Purity / Specification :—
CAS No. :1261930-34-0
MDL No. :MFCD17079068
Molecular Formula :C12H7F2NO2
LogP :2.20
Molecular Weight :235.19
TPSA :50.2
Category :Building Blocks
HSN Code :—
SMILES Code :O=C(O)c1ccnc(-c2c(F)cccc2F)c1
Melting Point :—
InChI Key : :DTFWQLYLEYRZBA-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✓ 235.2 Da
LogP ≤ 5✓ 2.20
HBD ≤ 5✓ 1
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i85/100
Excellent drug-like profile
Predicted LogP
i2.20log 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.