3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol

C14H10N4O3 — CID 3776068

IUPAC3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C14H10N4O3/c19-14-13(11-3-1-2-4-12(11)15-14)17-16-9-5-7-10(8-6-9)18(20)21/h1-8,15,19H/b17-16+
InChIKeyHHJYHWPKXWRLIE-WUKNDPDISA-N
MW282.26 g/mol
LogP4.20
Rot. Bonds3

About 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol

3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol (PubChem CID 3776068) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
PubChem CID3776068
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1
InChIInChI=1S/C14H10N4O3/c19-14-13(11-3-1-2-4-12(11)15-14)17-16-9-5-7-10(8-6-9)18(20)21/h1-8,15,19H/b17-16+
InChIKeyHHJYHWPKXWRLIE-WUKNDPDISA-N
XLogP4.20
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Indirubin-3'-monoxime
CID 3707
5-Chloro-1H-indole-2,3-dione 3-oxime
CID 198612
1-Methyl-3-(phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 2767481
3-(Phenyl-hydrazono)-1,3-dihydro-indol-2-one
CID 272989
Oxindole-Based Inhibitor 17
CID 135434964
Oxindole-Based Inhibitor 39
CID 135434977
Oxindole-Based Inhibitor 41
CID 135434978
Oxindole-Based Inhibitor 42
CID 135434979
Oxindole-Based Inhibitor 46
CID 135434981
4-{2-[(3Z)-5-amino-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazin-1-yl}benzene-1-sulfonamide hydrochloride
CID 135434982
Oxindole-Based Inhibitor 75
CID 135435002
(E)-1-benzyl-3-(hydroxyimino)indolin-2-one
CID 921636

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol?
The IUPAC name of 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol (CID 3776068) is 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol?
The canonical SMILES for 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol is O=[N+]([O-])c1ccc(/N=N/c2c(O)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol?
The InChIKey is HHJYHWPKXWRLIE-WUKNDPDISA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14-13(11-3-1-2-4-12(11)15-14)17-16-9-5-7-10(8-6-9)18(20)21/h1-8,15,19H/b17-16+.
What are the key properties of 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol?
3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol has a molecular weight of 282.26 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol is sourced from PubChem (CID 3776068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).