1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone

C15H11N3O4 — CID 3411203

IUPAC1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
SMILESO=C(COc1cccnc1[N+](=O)[O-])c1c[nH]c2ccccc12
InChIInChI=1S/C15H11N3O4/c19-13(11-8-17-12-5-2-1-4-10(11)12)9-22-14-6-3-7-16-15(14)18(20)21/h1-8,17H,9H2
InChIKeyRTVSSBRBWWYERH-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.73
Rot. Bonds5

About 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone

1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone (PubChem CID 3411203) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
PubChem CID3411203
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone
SMILESO=C(COc1cccnc1[N+](=O)[O-])c1c[nH]c2ccccc12
InChIInChI=1S/C15H11N3O4/c19-13(11-8-17-12-5-2-1-4-10(11)12)9-22-14-6-3-7-16-15(14)18(20)21/h1-8,17H,9H2
InChIKeyRTVSSBRBWWYERH-UHFFFAOYSA-N
XLogP2.73
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone (CID 3411203) is 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone is O=C(COc1cccnc1[N+](=O)[O-])c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone?
The InChIKey is RTVSSBRBWWYERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-13(11-8-17-12-5-2-1-4-10(11)12)9-22-14-6-3-7-16-15(14)18(20)21/h1-8,17H,9H2.
What are the key properties of 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone?
1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone has a molecular weight of 297.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(2-nitro-3-pyridinyl)oxy]ethanone is sourced from PubChem (CID 3411203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).