2-naphthalen-2-yl-6-nitroindazole

C17H11N3O2 — CID 67968310

IUPAC2-naphthalen-2-yl-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cn(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C17H11N3O2/c21-20(22)16-8-6-14-11-19(18-17(14)10-16)15-7-5-12-3-1-2-4-13(12)9-15/h1-11H
InChIKeyMSIDSTQOFUIBFT-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.09
Rot. Bonds2

About 2-naphthalen-2-yl-6-nitroindazole

2-naphthalen-2-yl-6-nitroindazole (PubChem CID 67968310) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-naphthalen-2-yl-6-nitroindazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-6-nitroindazole
PubChem CID67968310
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name2-naphthalen-2-yl-6-nitroindazole
SMILESO=[N+]([O-])c1ccc2cn(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C17H11N3O2/c21-20(22)16-8-6-14-11-19(18-17(14)10-16)15-7-5-12-3-1-2-4-13(12)9-15/h1-11H
InChIKeyMSIDSTQOFUIBFT-UHFFFAOYSA-N
XLogP4.09
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-naphthalen-2-yl-6-nitroindazole?
The IUPAC name of 2-naphthalen-2-yl-6-nitroindazole (CID 67968310) is 2-naphthalen-2-yl-6-nitroindazole.
What is the SMILES notation for 2-naphthalen-2-yl-6-nitroindazole?
The canonical SMILES for 2-naphthalen-2-yl-6-nitroindazole is O=[N+]([O-])c1ccc2cn(-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of 2-naphthalen-2-yl-6-nitroindazole?
The InChIKey is MSIDSTQOFUIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-20(22)16-8-6-14-11-19(18-17(14)10-16)15-7-5-12-3-1-2-4-13(12)9-15/h1-11H.
What are the key properties of 2-naphthalen-2-yl-6-nitroindazole?
2-naphthalen-2-yl-6-nitroindazole has a molecular weight of 289.29 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-6-nitroindazole is sourced from PubChem (CID 67968310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).