7-nitro-1H-indole;2-nitrophenol

C14H11N3O5 — CID 159038784

IUPAC7-nitro-1H-indole;2-nitrophenol
SMILESO=[N+]([O-])c1cccc2cc[nH]c12.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C8H6N2O2.C6H5NO3/c11-10(12)7-3-1-2-6-4-5-9-8(6)7;8-6-4-2-1-3-5(6)7(9)10/h1-5,9H;1-4,8H
InChIKeyJVTZTXAUDMKNNY-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.38
Rot. Bonds2

About 7-nitro-1H-indole;2-nitrophenol

7-nitro-1H-indole;2-nitrophenol (PubChem CID 159038784) has the molecular formula C14H11N3O5 and a molecular weight of 301.26 g/mol. Its IUPAC name is 7-nitro-1H-indole;2-nitrophenol.

Molecular Properties

Compound Name7-nitro-1H-indole;2-nitrophenol
PubChem CID159038784
Molecular FormulaC14H11N3O5
Molecular Weight301.26 g/mol
Exact Mass301.07
IUPAC Name7-nitro-1H-indole;2-nitrophenol
SMILESO=[N+]([O-])c1cccc2cc[nH]c12.O=[N+]([O-])c1ccccc1O
InChIInChI=1S/C8H6N2O2.C6H5NO3/c11-10(12)7-3-1-2-6-4-5-9-8(6)7;8-6-4-2-1-3-5(6)7(9)10/h1-5,9H;1-4,8H
InChIKeyJVTZTXAUDMKNNY-UHFFFAOYSA-N
XLogP3.38
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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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7-chloro-5-(2-nitrophenyl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 7-nitro-1H-indole;2-nitrophenol?
The IUPAC name of 7-nitro-1H-indole;2-nitrophenol (CID 159038784) is 7-nitro-1H-indole;2-nitrophenol.
What is the SMILES notation for 7-nitro-1H-indole;2-nitrophenol?
The canonical SMILES for 7-nitro-1H-indole;2-nitrophenol is O=[N+]([O-])c1cccc2cc[nH]c12.O=[N+]([O-])c1ccccc1O.
What is the InChIKey of 7-nitro-1H-indole;2-nitrophenol?
The InChIKey is JVTZTXAUDMKNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.C6H5NO3/c11-10(12)7-3-1-2-6-4-5-9-8(6)7;8-6-4-2-1-3-5(6)7(9)10/h1-5,9H;1-4,8H.
What are the key properties of 7-nitro-1H-indole;2-nitrophenol?
7-nitro-1H-indole;2-nitrophenol has a molecular weight of 301.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitro-1H-indole;2-nitrophenol is sourced from PubChem (CID 159038784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).