6-bromo-2-methylpyridine-3-carboxylic acid
CAS No.：
Cat. No.: SC251086
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Product Name :6-bromo-2-methylpyridine-3-carboxylic acid
Cat. No.: :SC251086
Purity / Specification :—
CAS No. :1060805-97-1
MDL No. :MFCD1318865
Molecular Formula :C7H6BrNO2
LogP :1.80
Molecular Weight :216.03
TPSA :50.2
Category :CRO / Contract Research
HSN Code :—
SMILES Code :Cc1nc(Br)ccc1C(=O)O
Melting Point :—
InChI Key : :QAZCHXJCZPUESJ-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✓ 216.0 Da
LogP ≤ 5✓ 1.80
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i80/100
Good drug-like profile
Predicted LogP
i1.80log 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.