1-hydroxy-5-nitroindol-4-ol

C8H6N2O4 — CID 15783725

IUPAC1-hydroxy-5-nitroindol-4-ol
SMILESO=[N+]([O-])c1ccc2c(ccn2O)c1O
InChIInChI=1S/C8H6N2O4/c11-8-5-3-4-9(12)6(5)1-2-7(8)10(13)14/h1-4,11-12H
InChIKeyAATBYGCKJBERTN-UHFFFAOYSA-N
MW194.15 g/mol
LogP1.49
Rot. Bonds1

About 1-hydroxy-5-nitroindol-4-ol

1-hydroxy-5-nitroindol-4-ol (PubChem CID 15783725) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 1-hydroxy-5-nitroindol-4-ol.

Molecular Properties

Compound Name1-hydroxy-5-nitroindol-4-ol
PubChem CID15783725
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name1-hydroxy-5-nitroindol-4-ol
SMILESO=[N+]([O-])c1ccc2c(ccn2O)c1O
InChIInChI=1S/C8H6N2O4/c11-8-5-3-4-9(12)6(5)1-2-7(8)10(13)14/h1-4,11-12H
InChIKeyAATBYGCKJBERTN-UHFFFAOYSA-N
XLogP1.49
TPSA88.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', '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

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2-[(1R)-1-amino-2,2-dimethylpropyl]-6-chloro-3-nitrophenol;hydrochloride
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2-methyl-4-nitrobenzene-1,3-diol;hydrochloride
CID 174916227
6-methyl-2,3-dinitrophenol
CID 14768193
2,6-dihydroxy-3-nitrobenzoic acid
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1-hydroxy-3-nitropyridine-2-thione
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1-hydroxy-4-nitrosoindole
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2,4,6-trinitrobenzene-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-5-nitroindol-4-ol?
The IUPAC name of 1-hydroxy-5-nitroindol-4-ol (CID 15783725) is 1-hydroxy-5-nitroindol-4-ol.
What is the SMILES notation for 1-hydroxy-5-nitroindol-4-ol?
The canonical SMILES for 1-hydroxy-5-nitroindol-4-ol is O=[N+]([O-])c1ccc2c(ccn2O)c1O.
What is the InChIKey of 1-hydroxy-5-nitroindol-4-ol?
The InChIKey is AATBYGCKJBERTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-8-5-3-4-9(12)6(5)1-2-7(8)10(13)14/h1-4,11-12H.
What are the key properties of 1-hydroxy-5-nitroindol-4-ol?
1-hydroxy-5-nitroindol-4-ol has a molecular weight of 194.15 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-nitroindol-4-ol is sourced from PubChem (CID 15783725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).