2-(5-bromo-2-pyridinyl)-5-nitroindazole

C12H7BrN4O2 — CID 67126046

IUPAC2-(5-bromo-2-pyridinyl)-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2nn(-c3ccc(Br)cn3)cc2c1
InChIInChI=1S/C12H7BrN4O2/c13-9-1-4-12(14-6-9)16-7-8-5-10(17(18)19)2-3-11(8)15-16/h1-7H
InChIKeyKOENMIOWUDDIPX-UHFFFAOYSA-N
MW319.12 g/mol
LogP3.09
Rot. Bonds2

About 2-(5-bromo-2-pyridinyl)-5-nitroindazole

2-(5-bromo-2-pyridinyl)-5-nitroindazole (PubChem CID 67126046) has the molecular formula C12H7BrN4O2 and a molecular weight of 319.12 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-5-nitroindazole.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-5-nitroindazole
PubChem CID67126046
Molecular FormulaC12H7BrN4O2
Molecular Weight319.12 g/mol
Exact Mass317.98
IUPAC Name2-(5-bromo-2-pyridinyl)-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2nn(-c3ccc(Br)cn3)cc2c1
InChIInChI=1S/C12H7BrN4O2/c13-9-1-4-12(14-6-9)16-7-8-5-10(17(18)19)2-3-11(8)15-16/h1-7H
InChIKeyKOENMIOWUDDIPX-UHFFFAOYSA-N
XLogP3.09
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 53.09
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

5-bromo-2-(4-nitropyrazol-1-yl)pyridine
CID 61373223
5-bromo-2-(5-bromo-3-nitro-1,2,4-triazol-1-yl)pyridine
CID 103099159
1-(5-nitroindazol-2-yl)ethanamine
CID 162721802
5-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 12602756
1-(5-bromo-2-pyridinyl)-3-phenylpyrazole-4-carbaldehyde
CID 65347838
2-(2-methylphenyl)-6-nitroindazole
CID 620110
1-(5-bromo-2-pyridinyl)-4-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 36833622
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-methyl-5-nitrobenzamide
CID 87021037
2-(4-methylphenyl)-6-nitroindazole
CID 620060
N-(3-bromophenyl)-6-nitroquinazolin-2-amine
CID 142646683
1-(5-bromo-2-pyridinyl)-3-methyl-4-nitropyrazol-5-amine
CID 65347634
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-5-nitroindazole?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-5-nitroindazole (CID 67126046) is 2-(5-bromo-2-pyridinyl)-5-nitroindazole.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-5-nitroindazole?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-5-nitroindazole is O=[N+]([O-])c1ccc2nn(-c3ccc(Br)cn3)cc2c1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-5-nitroindazole?
The InChIKey is KOENMIOWUDDIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4O2/c13-9-1-4-12(14-6-9)16-7-8-5-10(17(18)19)2-3-11(8)15-16/h1-7H.
What are the key properties of 2-(5-bromo-2-pyridinyl)-5-nitroindazole?
2-(5-bromo-2-pyridinyl)-5-nitroindazole has a molecular weight of 319.12 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-5-nitroindazole is sourced from PubChem (CID 67126046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).