4,6-dinitro-2-(4-nitrophenyl)indazole

C13H7N5O6 — CID 630169

IUPAC4,6-dinitro-2-(4-nitrophenyl)indazole
SMILESO=[N+]([O-])c1ccc(-n2cc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3n2)cc1
InChIInChI=1S/C13H7N5O6/c19-16(20)9-3-1-8(2-4-9)15-7-11-12(14-15)5-10(17(21)22)6-13(11)18(23)24/h1-7H
InChIKeyQKOZNROZJGZAPB-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.75
Rot. Bonds4

About 4,6-dinitro-2-(4-nitrophenyl)indazole

4,6-dinitro-2-(4-nitrophenyl)indazole (PubChem CID 630169) has the molecular formula C13H7N5O6 and a molecular weight of 329.23 g/mol. Its IUPAC name is 4,6-dinitro-2-(4-nitrophenyl)indazole.

Molecular Properties

Compound Name4,6-dinitro-2-(4-nitrophenyl)indazole
PubChem CID630169
Molecular FormulaC13H7N5O6
Molecular Weight329.23 g/mol
Exact Mass329.04
IUPAC Name4,6-dinitro-2-(4-nitrophenyl)indazole
SMILESO=[N+]([O-])c1ccc(-n2cc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3n2)cc1
InChIInChI=1S/C13H7N5O6/c19-16(20)9-3-1-8(2-4-9)15-7-11-12(14-15)5-10(17(21)22)6-13(11)18(23)24/h1-7H
InChIKeyQKOZNROZJGZAPB-UHFFFAOYSA-N
XLogP2.75
TPSA147.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.75
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-(4-methylphenyl)-4,6-dinitroindazole
CID 626844
2-(4-methylphenyl)-6-nitroindazole
CID 620060
alumane;2,4,6-trinitrophenol;hydrate
CID 173341136
4-methyl-1-(4-nitrophenyl)pyrazole-3-carbaldehyde
CID 139674879
3-methyl-1-(4-nitrophenyl)-1,2,4-triazole
CID 12877065
2-(4-chloro-3-nitrophenyl)-4,6-dinitrobenzotriazole
CID 57307785
2-[4-bromo-1-(4-nitrophenyl)pyrazol-3-yl]ethanamine
CID 116818595
4-chloro-1-(4-nitrophenyl)pyrazole
CID 23036556
4-(2-nitrophenyl)-1-(4-nitrophenyl)triazole
CID 101463885
1-(4-nitrophenyl)-3-pyridin-4-ylpyrazol-4-amine
CID 83205383
1-methyl-4,6-dinitroindazole
CID 71946278
1-(4-methylphenyl)-4,6-dinitroindazole
CID 3981439

Frequently Asked Questions

What is the IUPAC name of 4,6-dinitro-2-(4-nitrophenyl)indazole?
The IUPAC name of 4,6-dinitro-2-(4-nitrophenyl)indazole (CID 630169) is 4,6-dinitro-2-(4-nitrophenyl)indazole.
What is the SMILES notation for 4,6-dinitro-2-(4-nitrophenyl)indazole?
The canonical SMILES for 4,6-dinitro-2-(4-nitrophenyl)indazole is O=[N+]([O-])c1ccc(-n2cc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3n2)cc1.
What is the InChIKey of 4,6-dinitro-2-(4-nitrophenyl)indazole?
The InChIKey is QKOZNROZJGZAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N5O6/c19-16(20)9-3-1-8(2-4-9)15-7-11-12(14-15)5-10(17(21)22)6-13(11)18(23)24/h1-7H.
What are the key properties of 4,6-dinitro-2-(4-nitrophenyl)indazole?
4,6-dinitro-2-(4-nitrophenyl)indazole has a molecular weight of 329.23 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dinitro-2-(4-nitrophenyl)indazole is sourced from PubChem (CID 630169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).