2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol

C21H15N3O2 — CID 44585333

IUPAC2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3cncc(-c4cc5cc(O)ccc5[nH]4)c3)cc2c1
InChIInChI=1S/C21H15N3O2/c25-16-1-3-18-12(6-16)8-20(23-18)14-5-15(11-22-10-14)21-9-13-7-17(26)2-4-19(13)24-21/h1-11,23-26H
InChIKeyVJYPIYAOSJUIPM-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.79
Rot. Bonds2

About 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol

2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol (PubChem CID 44585333) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol.

Molecular Properties

Compound Name2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol
PubChem CID44585333
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3cncc(-c4cc5cc(O)ccc5[nH]4)c3)cc2c1
InChIInChI=1S/C21H15N3O2/c25-16-1-3-18-12(6-16)8-20(23-18)14-5-15(11-22-10-14)21-9-13-7-17(26)2-4-19(13)24-21/h1-11,23-26H
InChIKeyVJYPIYAOSJUIPM-UHFFFAOYSA-N
XLogP4.79
TPSA84.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol?
The IUPAC name of 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol (CID 44585333) is 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol.
What is the SMILES notation for 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol?
The canonical SMILES for 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol is Oc1ccc2[nH]c(-c3cncc(-c4cc5cc(O)ccc5[nH]4)c3)cc2c1.
What is the InChIKey of 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol?
The InChIKey is VJYPIYAOSJUIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-16-1-3-18-12(6-16)8-20(23-18)14-5-15(11-22-10-14)21-9-13-7-17(26)2-4-19(13)24-21/h1-11,23-26H.
What are the key properties of 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol?
2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol has a molecular weight of 341.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-hydroxy-1H-indol-2-yl)-3-pyridinyl]-1H-indol-5-ol is sourced from PubChem (CID 44585333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).