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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57455156Generated: October 23, 2026

5-((6-Chloropyrimidin-4-yl)oxy)-1H-indole

5-(6-Chloropyrimidin-4-yloxy)-1H-indole · 1H-Indole, 5-[(6-chloro-4-pyrimidinyl)oxy]-

https://huagongshe.com/en/chemical/57455156

5-((6-Chloropyrimidin-4-yl)oxy)-1H-indole molecular structure

Identifiers & Physical Properties

CAS No.630126-16-8
Molecular formulaC12H8ClN3O
Average molar mass245.66 g/mol
Monoisotopic mass245.03558956 g/mol
SMILESClc1cc(Oc2ccc3[nH]ccc3c2)ncn1
InChIKeyWVLFTHFFYNWPBQ-UHFFFAOYSA-N
PubChem CID57455156
DTXSIDDTXSID10726603

Chemical & Physical Properties

XLogP3.2
Topological polar surface area50.8
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds2
Heavy atoms17
Formal charge0
Complexity266
Boiling point450.8±35.0 °C(Predicted)
Density1.437±0.06 g/cm3(Predicted)
Storage conditions2-8°C
pKa (acidity coefficient)16.17±0.30(Predicted)