2-(5-fluoropyrimidin-2-yl)acetic acid

CAS No.：

Cat. No.: SC23394

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Product Name :2-(5-fluoropyrimidin-2-yl)acetic acid

Cat. No.: :SC23394

Purity / Specification :—

CAS No. :1196145-38-6

MDL No. :—

Molecular Formula :C₆H₅FN₂O₂

LogP :-0.20

Molecular Weight :156.12

TPSA :63.1

Category :Building Blocks

HSN Code :—

SMILES Code :O=C(O)Cc1ncc(F)cn1

Melting Point :—

InChI Key : :RPPKSSZAMKKYFT-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 156.1 Da

LogP ≤ 5✓ -0.20

HBD ≤ 5✓ 1

HBA ≤ 10✓ 5

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

60/100

Moderate — typical building block

Predicted LogP

-0.20log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 63.1Å² · 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.