[2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone

C21H16N4O2 — CID 137243368

IUPAC[2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1c(O)c(/N=N/Cc2ccncc2)c2ccccc21
InChIInChI=1S/C21H16N4O2/c26-20(16-6-2-1-3-7-16)25-18-9-5-4-8-17(18)19(21(25)27)24-23-14-15-10-12-22-13-11-15/h1-13,27H,14H2/b24-23+
InChIKeyQOOUIEZBXTWYNE-WCWDXBQESA-N
MW356.39 g/mol
LogP4.71
Rot. Bonds4

About [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone

[2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone (PubChem CID 137243368) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone
PubChem CID137243368
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name[2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1c(O)c(/N=N/Cc2ccncc2)c2ccccc21
InChIInChI=1S/C21H16N4O2/c26-20(16-6-2-1-3-7-16)25-18-9-5-4-8-17(18)19(21(25)27)24-23-14-15-10-12-22-13-11-15/h1-13,27H,14H2/b24-23+
InChIKeyQOOUIEZBXTWYNE-WCWDXBQESA-N
XLogP4.71
TPSA79.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone?
The IUPAC name of [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone (CID 137243368) is [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone?
The canonical SMILES for [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1c(O)c(/N=N/Cc2ccncc2)c2ccccc21.
What is the InChIKey of [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone?
The InChIKey is QOOUIEZBXTWYNE-WCWDXBQESA-N. The full InChI is InChI=1S/C21H16N4O2/c26-20(16-6-2-1-3-7-16)25-18-9-5-4-8-17(18)19(21(25)27)24-23-14-15-10-12-22-13-11-15/h1-13,27H,14H2/b24-23+.
What are the key properties of [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone?
[2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone has a molecular weight of 356.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(pyridin-4-ylmethyldiazenyl)indol-1-yl]-phenylmethanone is sourced from PubChem (CID 137243368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).