6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole

C16H12N6O4 — CID 139086453

IUPAC6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole
SMILESO=[N+]([O-])c1ccc2cnn(CCn3ncc4ccc([N+](=O)[O-])cc43)c2c1
InChIInChI=1S/C16H12N6O4/c23-21(24)13-3-1-11-9-17-19(15(11)7-13)5-6-20-16-8-14(22(25)26)4-2-12(16)10-18-20/h1-4,7-10H,5-6H2
InChIKeyWORVUXSOLATGKM-UHFFFAOYSA-N
MW352.31 g/mol
LogP2.90
Rot. Bonds5

About 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole

6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole (PubChem CID 139086453) has the molecular formula C16H12N6O4 and a molecular weight of 352.31 g/mol. Its IUPAC name is 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole.

Molecular Properties

Compound Name6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole
PubChem CID139086453
Molecular FormulaC16H12N6O4
Molecular Weight352.31 g/mol
Exact Mass352.09
IUPAC Name6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole
SMILESO=[N+]([O-])c1ccc2cnn(CCn3ncc4ccc([N+](=O)[O-])cc43)c2c1
InChIInChI=1S/C16H12N6O4/c23-21(24)13-3-1-11-9-17-19(15(11)7-13)5-6-20-16-8-14(22(25)26)4-2-12(16)10-18-20/h1-4,7-10H,5-6H2
InChIKeyWORVUXSOLATGKM-UHFFFAOYSA-N
XLogP2.90
TPSA121.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-Methyl-6-nitro-2H-indazole
CID 81289
6-Nitro-2-phenyl-2H-indazole
CID 555231
1H-Indazole, 1-methyl-6-nitro-
CID 81290
2-(4-Methylphenyl)-6-nitro-2H-indazole
CID 620060
1-(2-methylphenyl)-4,6-dinitro-1H-indazole
CID 3932660
6-nitro-2-(3-nitrophenyl)-2H-indazole
CID 4413334
2-benzyl-5-nitro-2H-indazole
CID 4653102
7-Nitro-4-p-tolyl-1,2-dihydro-3,9,9a-triaza-fluorene 9-oxide
CID 24982192
2-Methyl-4-nitro-2H-indazole
CID 280212
1-Methyl-4-nitro-1H-indazole
CID 280213
3-phenyl-1-(2H-triazol-4-ylmethyl)indazole
CID 73504349
1-[(1-Methyltriazol-4-yl)methyl]-3-phenylindazole
CID 73504350

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole?
The IUPAC name of 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole (CID 139086453) is 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole.
What is the SMILES notation for 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole?
The canonical SMILES for 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole is O=[N+]([O-])c1ccc2cnn(CCn3ncc4ccc([N+](=O)[O-])cc43)c2c1.
What is the InChIKey of 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole?
The InChIKey is WORVUXSOLATGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O4/c23-21(24)13-3-1-11-9-17-19(15(11)7-13)5-6-20-16-8-14(22(25)26)4-2-12(16)10-18-20/h1-4,7-10H,5-6H2.
What are the key properties of 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole?
6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole has a molecular weight of 352.31 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1-[2-(6-nitroindazol-1-yl)ethyl]indazole is sourced from PubChem (CID 139086453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).