2-(2-methoxyphenyl)-6-nitroindazole

C14H11N3O3 — CID 671433

IUPAC2-(2-methoxyphenyl)-6-nitroindazole
SMILESCOc1ccccc1-n1cc2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C14H11N3O3/c1-20-14-5-3-2-4-13(14)16-9-10-6-7-11(17(18)19)8-12(10)15-16/h2-9H,1H3
InChIKeyQCXMTBDHVHMGBY-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.94
Rot. Bonds3

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

2-(2-methoxyphenyl)-6-nitroindazole (PubChem CID 671433) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-6-nitroindazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-6-nitroindazole
PubChem CID671433
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(2-methoxyphenyl)-6-nitroindazole
SMILESCOc1ccccc1-n1cc2ccc([N+](=O)[O-])cc2n1
InChIInChI=1S/C14H11N3O3/c1-20-14-5-3-2-4-13(14)16-9-10-6-7-11(17(18)19)8-12(10)15-16/h2-9H,1H3
InChIKeyQCXMTBDHVHMGBY-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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Related Compounds

2-(4-methoxyphenyl)-6-nitro-2H-indazole
CID 622831
2-(2-methoxyphenyl)-4,6-dinitro-2H-indazole
CID 4410945
4-(4-Methoxy-phenyl)-7-nitro-1,2-dihydro-3,9,9a-triaza-fluorene
CID 24979615
N-(2-ethoxyphenyl)-2-(6-nitroindazol-1-yl)acetamide
CID 4352278
2H-Indazole, 2-(3-methoxyphenyl)-
CID 3067342
4,6-dinitro-2-[4-(trifluoromethoxy)phenyl]-2H-indazole
CID 632684
5-Fluoro-2-(4-methoxyphenyl)indazole
CID 135057108
2-(4-Methoxyphenyl)-4,6-dinitro-2H-indazole
CID 628790
1-(2-methoxyphenyl)-4,6-dinitro-1H-indazole
CID 1825235
2-(4-methoxyphenyl)-2H-indazole
CID 1214777
2-(4-Methoxy-2-nitrophenyl)indazole
CID 44466518
1-(4-Methoxyphenyl)-1h-indazole
CID 11218363

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-6-nitroindazole?
The IUPAC name of 2-(2-methoxyphenyl)-6-nitroindazole (CID 671433) is 2-(2-methoxyphenyl)-6-nitroindazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-6-nitroindazole?
The canonical SMILES for 2-(2-methoxyphenyl)-6-nitroindazole is COc1ccccc1-n1cc2ccc([N+](=O)[O-])cc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-6-nitroindazole?
The InChIKey is QCXMTBDHVHMGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c1-20-14-5-3-2-4-13(14)16-9-10-6-7-11(17(18)19)8-12(10)15-16/h2-9H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-6-nitroindazole?
2-(2-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-(2-methoxyphenyl)-6-nitroindazole is sourced from PubChem (CID 671433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).