5-(7H-purin-6-yloxy)-1H-indol-2-ol

C13H9N5O2 — CID 57040610

IUPAC5-(7H-purin-6-yloxy)-1H-indol-2-ol
SMILESOc1cc2cc(Oc3ncnc4nc[nH]c34)ccc2[nH]1
InChIInChI=1S/C13H9N5O2/c19-10-4-7-3-8(1-2-9(7)18-10)20-13-11-12(15-5-14-11)16-6-17-13/h1-6,18-19H,(H,14,15,16,17)
InChIKeyGQTWIQPENFXRCQ-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.33
Rot. Bonds2

About 5-(7H-purin-6-yloxy)-1H-indol-2-ol

5-(7H-purin-6-yloxy)-1H-indol-2-ol (PubChem CID 57040610) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-(7H-purin-6-yloxy)-1H-indol-2-ol.

Molecular Properties

Compound Name5-(7H-purin-6-yloxy)-1H-indol-2-ol
PubChem CID57040610
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name5-(7H-purin-6-yloxy)-1H-indol-2-ol
SMILESOc1cc2cc(Oc3ncnc4nc[nH]c34)ccc2[nH]1
InChIInChI=1S/C13H9N5O2/c19-10-4-7-3-8(1-2-9(7)18-10)20-13-11-12(15-5-14-11)16-6-17-13/h1-6,18-19H,(H,14,15,16,17)
InChIKeyGQTWIQPENFXRCQ-UHFFFAOYSA-N
XLogP2.33
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7H-purin-6-yloxy)-1H-indol-2-ol?
The IUPAC name of 5-(7H-purin-6-yloxy)-1H-indol-2-ol (CID 57040610) is 5-(7H-purin-6-yloxy)-1H-indol-2-ol.
What is the SMILES notation for 5-(7H-purin-6-yloxy)-1H-indol-2-ol?
The canonical SMILES for 5-(7H-purin-6-yloxy)-1H-indol-2-ol is Oc1cc2cc(Oc3ncnc4nc[nH]c34)ccc2[nH]1.
What is the InChIKey of 5-(7H-purin-6-yloxy)-1H-indol-2-ol?
The InChIKey is GQTWIQPENFXRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-10-4-7-3-8(1-2-9(7)18-10)20-13-11-12(15-5-14-11)16-6-17-13/h1-6,18-19H,(H,14,15,16,17).
What are the key properties of 5-(7H-purin-6-yloxy)-1H-indol-2-ol?
5-(7H-purin-6-yloxy)-1H-indol-2-ol has a molecular weight of 267.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7H-purin-6-yloxy)-1H-indol-2-ol is sourced from PubChem (CID 57040610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).