2-(4-methoxyphenyl)-6-nitroindazole

C14H11N3O3 — CID 622831

IUPAC2-(4-methoxyphenyl)-6-nitroindazole
SMILESCOc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1
InChIInChI=1S/C14H11N3O3/c1-20-13-6-4-11(5-7-13)16-9-10-2-3-12(17(18)19)8-14(10)15-16/h2-9H,1H3
InChIKeyLPNLUZLKFOTQRF-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.94
Rot. Bonds3

About 2-(4-methoxyphenyl)-6-nitroindazole

2-(4-methoxyphenyl)-6-nitroindazole (PubChem CID 622831) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-nitroindazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-nitroindazole
PubChem CID622831
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(4-methoxyphenyl)-6-nitroindazole
SMILESCOc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1
InChIInChI=1S/C14H11N3O3/c1-20-13-6-4-11(5-7-13)16-9-10-2-3-12(17(18)19)8-14(10)15-16/h2-9H,1H3
InChIKeyLPNLUZLKFOTQRF-UHFFFAOYSA-N
XLogP2.94
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
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 2-(4-methoxyphenyl)-6-nitroindazole?
The IUPAC name of 2-(4-methoxyphenyl)-6-nitroindazole (CID 622831) is 2-(4-methoxyphenyl)-6-nitroindazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-nitroindazole?
The canonical SMILES for 2-(4-methoxyphenyl)-6-nitroindazole is COc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-nitroindazole?
The InChIKey is LPNLUZLKFOTQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-13-6-4-11(5-7-13)16-9-10-2-3-12(17(18)19)8-14(10)15-16/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-6-nitroindazole?
2-(4-methoxyphenyl)-6-nitroindazole has a molecular weight of 269.26 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-nitroindazole is sourced from PubChem (CID 622831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).