2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone

C15H10N4O5 — CID 57382195

IUPAC2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone
SMILESO=C(Cn1cc2cccc([N+](=O)[O-])c2n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O5/c20-14(10-4-6-12(7-5-10)18(21)22)9-17-8-11-2-1-3-13(19(23)24)15(11)16-17/h1-8H,9H2
InChIKeyOETAMAZZMZPGRB-UHFFFAOYSA-N
MW326.27 g/mol
LogP2.74
Rot. Bonds5

About 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone

2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone (PubChem CID 57382195) has the molecular formula C15H10N4O5 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone
PubChem CID57382195
Molecular FormulaC15H10N4O5
Molecular Weight326.27 g/mol
Exact Mass326.07
IUPAC Name2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone
SMILESO=C(Cn1cc2cccc([N+](=O)[O-])c2n1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H10N4O5/c20-14(10-4-6-12(7-5-10)18(21)22)9-17-8-11-2-1-3-13(19(23)24)15(11)16-17/h1-8H,9H2
InChIKeyOETAMAZZMZPGRB-UHFFFAOYSA-N
XLogP2.74
TPSA121.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone (CID 57382195) is 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone is O=C(Cn1cc2cccc([N+](=O)[O-])c2n1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone?
The InChIKey is OETAMAZZMZPGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O5/c20-14(10-4-6-12(7-5-10)18(21)22)9-17-8-11-2-1-3-13(19(23)24)15(11)16-17/h1-8H,9H2.
What are the key properties of 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone?
2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone has a molecular weight of 326.27 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-nitroindazol-2-yl)-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 57382195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).