1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol

C18H20N4O — CID 4831610

IUPAC1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol
SMILESCC(C)CCn1c(O)c(/N=N/c2ccccn2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-13(2)10-12-22-15-8-4-3-7-14(15)17(18(22)23)21-20-16-9-5-6-11-19-16/h3-9,11,13,23H,10,12H2,1-2H3/b21-20+
InChIKeyHZKZVYYVWBXIHM-QZQOTICOSA-N
MW308.39 g/mol
LogP5.20
Rot. Bonds5

About 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol

1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol (PubChem CID 4831610) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol.

Molecular Properties

Compound Name1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol
PubChem CID4831610
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol
SMILESCC(C)CCn1c(O)c(/N=N/c2ccccn2)c2ccccc21
InChIInChI=1S/C18H20N4O/c1-13(2)10-12-22-15-8-4-3-7-14(15)17(18(22)23)21-20-16-9-5-6-11-19-16/h3-9,11,13,23H,10,12H2,1-2H3/b21-20+
InChIKeyHZKZVYYVWBXIHM-QZQOTICOSA-N
XLogP5.20
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.39
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol?
The IUPAC name of 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol (CID 4831610) is 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol.
What is the SMILES notation for 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol?
The canonical SMILES for 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol is CC(C)CCn1c(O)c(/N=N/c2ccccn2)c2ccccc21.
What is the InChIKey of 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol?
The InChIKey is HZKZVYYVWBXIHM-QZQOTICOSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13(2)10-12-22-15-8-4-3-7-14(15)17(18(22)23)21-20-16-9-5-6-11-19-16/h3-9,11,13,23H,10,12H2,1-2H3/b21-20+.
What are the key properties of 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol?
1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol has a molecular weight of 308.39 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-3-(pyridin-2-yldiazenyl)indol-2-ol is sourced from PubChem (CID 4831610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).