2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate

C17H12N3O5- — CID 4090975

IUPAC2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
SMILESO=C([O-])Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C17H13N3O5/c21-13-8-4-2-6-11(13)16(24)19-18-15-10-5-1-3-7-12(10)20(17(15)25)9-14(22)23/h1-8,21,25H,9H2,(H,22,23)/p-1/b19-18+
InChIKeyKEQURQCGGIJAAJ-VHEBQXMUSA-M
MW338.30 g/mol
LogP1.73
Rot. Bonds4

About 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate

2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate (PubChem CID 4090975) has the molecular formula C17H12N3O5- and a molecular weight of 338.30 g/mol. Its IUPAC name is 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate.

Molecular Properties

Compound Name2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
PubChem CID4090975
Molecular FormulaC17H12N3O5-
Molecular Weight338.30 g/mol
Exact Mass338.08
IUPAC Name2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate
SMILESO=C([O-])Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21
InChIInChI=1S/C17H13N3O5/c21-13-8-4-2-6-11(13)16(24)19-18-15-10-5-1-3-7-12(10)20(17(15)25)9-14(22)23/h1-8,21,25H,9H2,(H,22,23)/p-1/b19-18+
InChIKeyKEQURQCGGIJAAJ-VHEBQXMUSA-M
XLogP1.73
TPSA127.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
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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Related Compounds

N-[1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2-hydroxyindol-3-yl]imino-2-hydroxybenzamide
CID 4264369
methyl 2-[2-hydroxy-3-[(2-methylbenzoyl)diazenyl]indol-1-yl]acetate
CID 135604079
N-(1-benzyl-2-hydroxyindol-3-yl)imino-2-nitrobenzamide
CID 1098391
N-(1-benzyl-2-hydroxyindol-3-yl)imino-5-chloro-2-hydroxybenzamide
CID 3532404
2-fluoro-N-(2-hydroxy-1-prop-2-ynylindol-3-yl)iminobenzamide
CID 5035763
2-chloro-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172299
methyl 2-[2-hydroxy-3-[(4-nitrobenzoyl)diazenyl]indol-1-yl]acetate
CID 135604078
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
diethyl-[2-[3-[(2-fluorobenzoyl)diazenyl]-2-hydroxyindol-1-yl]ethyl]azanium
CID 135577249
2-hydroxy-N-(2-hydroxy-5-methoxy-1-propylindol-3-yl)iminobenzamide
CID 4505477
N-[1-(azepan-1-ium-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-bromobenzamide
CID 2311216

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate?
The IUPAC name of 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate (CID 4090975) is 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate.
What is the SMILES notation for 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate?
The canonical SMILES for 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate is O=C([O-])Cn1c(O)c(/N=N/C(=O)c2ccccc2O)c2ccccc21.
What is the InChIKey of 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate?
The InChIKey is KEQURQCGGIJAAJ-VHEBQXMUSA-M. The full InChI is InChI=1S/C17H13N3O5/c21-13-8-4-2-6-11(13)16(24)19-18-15-10-5-1-3-7-12(10)20(17(15)25)9-14(22)23/h1-8,21,25H,9H2,(H,22,23)/p-1/b19-18+.
What are the key properties of 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate?
2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate has a molecular weight of 338.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-[(2-hydroxybenzoyl)diazenyl]indol-1-yl]acetate is sourced from PubChem (CID 4090975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).