Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate, ≥98.01%
CAS No.：
Cat. No.: SC261819
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Product Name :Methyl 1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Cat. No.: :SC261819
Purity / Specification :≥98.01%
CAS No. :394223-02-0
MDL No. :MFCD08752938
Molecular Formula :C9H8N2O2
LogP :1.50
Molecular Weight :176.18
TPSA :55.0
Category :CDMO
HSN Code :—
SMILES Code :COC(=O)c1cc2cccnc2[nH]1
Melting Point :—
InChI Key : :HWOQCGSIDCQVRM-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✓ 176.2 Da
LogP ≤ 5✓ 1.50
HBD ≤ 5✓ 1
HBA ≤ 10✓ 3
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i73/100
Good drug-like profile
Predicted LogP
i1.50log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS+ likely
TPSA 55.0Ų · 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.