3-(furan-2-yl)-5-nitro-1H-indazole

C11H7N3O3 — CID 76847948

IUPAC3-(furan-2-yl)-5-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(-c3ccco3)c2c1
InChIInChI=1S/C11H7N3O3/c15-14(16)7-3-4-9-8(6-7)11(13-12-9)10-2-1-5-17-10/h1-6H,(H,12,13)
InChIKeyMGEGVOIGOQKPBB-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.73
Rot. Bonds2

About 3-(furan-2-yl)-5-nitro-1H-indazole

3-(furan-2-yl)-5-nitro-1H-indazole (PubChem CID 76847948) has the molecular formula C11H7N3O3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-(furan-2-yl)-5-nitro-1H-indazole.

Molecular Properties

Compound Name3-(furan-2-yl)-5-nitro-1H-indazole
PubChem CID76847948
Molecular FormulaC11H7N3O3
Molecular Weight229.20 g/mol
Exact Mass229.05
IUPAC Name3-(furan-2-yl)-5-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(-c3ccco3)c2c1
InChIInChI=1S/C11H7N3O3/c15-14(16)7-3-4-9-8(6-7)11(13-12-9)10-2-1-5-17-10/h1-6H,(H,12,13)
InChIKeyMGEGVOIGOQKPBB-UHFFFAOYSA-N
XLogP2.73
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-(3-methylphenyl)-5-nitro-1H-indazole
CID 71303796
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029
5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole
CID 71607351
5-nitro-3-propoxy-1H-indazole
CID 76846129
N-benzyl-5-nitro-1H-indazol-3-amine
CID 22567151
3-(4-methylpiperazin-1-yl)-5-nitro-1H-indazole
CID 10244398
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
2-(furan-2-yl)-5-nitrobenzenethiol
CID 168527831
5-(furan-2-yl)-N-(2-hydroxy-4-nitrophenyl)-1H-pyrazole-3-carboxamide
CID 19514103
5-nitro-3-piperazin-1-yl-1H-indazole
CID 71748554
ethane;3-[3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-5-nitro-1H-indazole
CID 142958172
6-nitro-4-oxo-N-phenyl-1H-cinnoline-3-carboxamide
CID 21241476

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-5-nitro-1H-indazole?
The IUPAC name of 3-(furan-2-yl)-5-nitro-1H-indazole (CID 76847948) is 3-(furan-2-yl)-5-nitro-1H-indazole.
What is the SMILES notation for 3-(furan-2-yl)-5-nitro-1H-indazole?
The canonical SMILES for 3-(furan-2-yl)-5-nitro-1H-indazole is O=[N+]([O-])c1ccc2[nH]nc(-c3ccco3)c2c1.
What is the InChIKey of 3-(furan-2-yl)-5-nitro-1H-indazole?
The InChIKey is MGEGVOIGOQKPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O3/c15-14(16)7-3-4-9-8(6-7)11(13-12-9)10-2-1-5-17-10/h1-6H,(H,12,13).
What are the key properties of 3-(furan-2-yl)-5-nitro-1H-indazole?
3-(furan-2-yl)-5-nitro-1H-indazole has a molecular weight of 229.20 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-5-nitro-1H-indazole is sourced from PubChem (CID 76847948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).