5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol

C14H11BrN4O — CID 2856245

IUPAC5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol
SMILESCn1c(O)c(/N=N/c2ccccn2)c2cc(Br)ccc21
InChIInChI=1S/C14H11BrN4O/c1-19-11-6-5-9(15)8-10(11)13(14(19)20)18-17-12-4-2-3-7-16-12/h2-8,20H,1H3/b18-17+
InChIKeyWSXWRHNVDIMDQZ-ISLYRVAYSA-N
MW331.17 g/mol
LogP4.46
Rot. Bonds2

About 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol

5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol (PubChem CID 2856245) has the molecular formula C14H11BrN4O and a molecular weight of 331.17 g/mol. Its IUPAC name is 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol.

Molecular Properties

Compound Name5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol
PubChem CID2856245
Molecular FormulaC14H11BrN4O
Molecular Weight331.17 g/mol
Exact Mass330.01
IUPAC Name5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol
SMILESCn1c(O)c(/N=N/c2ccccn2)c2cc(Br)ccc21
InChIInChI=1S/C14H11BrN4O/c1-19-11-6-5-9(15)8-10(11)13(14(19)20)18-17-12-4-2-3-7-16-12/h2-8,20H,1H3/b18-17+
InChIKeyWSXWRHNVDIMDQZ-ISLYRVAYSA-N
XLogP4.46
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.46
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 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol?
The IUPAC name of 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol (CID 2856245) is 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol.
What is the SMILES notation for 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol?
The canonical SMILES for 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol is Cn1c(O)c(/N=N/c2ccccn2)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol?
The InChIKey is WSXWRHNVDIMDQZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H11BrN4O/c1-19-11-6-5-9(15)8-10(11)13(14(19)20)18-17-12-4-2-3-7-16-12/h2-8,20H,1H3/b18-17+.
What are the key properties of 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol?
5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol has a molecular weight of 331.17 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-3-(pyridin-2-yldiazenyl)indol-2-ol is sourced from PubChem (CID 2856245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).