ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate

C18H16N4O4 — CID 1365560

IUPACethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C18H16N4O4/c1-2-26-15(23)11-22-14-9-4-3-7-12(14)16(18(22)25)20-21-17(24)13-8-5-6-10-19-13/h3-10,25H,2,11H2,1H3/b21-20+
InChIKeyVPCJTHWTMMEYJD-QZQOTICOSA-N
MW352.35 g/mol
LogP3.23
Rot. Bonds5

About ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate

ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate (PubChem CID 1365560) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
PubChem CID1365560
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Nameethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccn2)c2ccccc21
InChIInChI=1S/C18H16N4O4/c1-2-26-15(23)11-22-14-9-4-3-7-12(14)16(18(22)25)20-21-17(24)13-8-5-6-10-19-13/h3-10,25H,2,11H2,1H3/b21-20+
InChIKeyVPCJTHWTMMEYJD-QZQOTICOSA-N
XLogP3.23
TPSA106.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate (CID 1365560) is ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate is CCOC(=O)Cn1c(O)c(/N=N/C(=O)c2ccccn2)c2ccccc21.
What is the InChIKey of ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate?
The InChIKey is VPCJTHWTMMEYJD-QZQOTICOSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-2-26-15(23)11-22-14-9-4-3-7-12(14)16(18(22)25)20-21-17(24)13-8-5-6-10-19-13/h3-10,25H,2,11H2,1H3/b21-20+.
What are the key properties of ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate?
ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate has a molecular weight of 352.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxy-3-(pyridine-2-carbonyldiazenyl)indol-1-yl]acetate is sourced from PubChem (CID 1365560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).