3-naphthalen-2-yl-5-nitro-1H-indazole

C17H11N3O2 — CID 22479757

IUPAC3-naphthalen-2-yl-5-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C17H11N3O2/c21-20(22)14-7-8-16-15(10-14)17(19-18-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19)
InChIKeyBBXWKRYVNLPACZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP4.29
Rot. Bonds2

About 3-naphthalen-2-yl-5-nitro-1H-indazole

3-naphthalen-2-yl-5-nitro-1H-indazole (PubChem CID 22479757) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-nitro-1H-indazole.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-nitro-1H-indazole
PubChem CID22479757
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name3-naphthalen-2-yl-5-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C17H11N3O2/c21-20(22)14-7-8-16-15(10-14)17(19-18-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19)
InChIKeyBBXWKRYVNLPACZ-UHFFFAOYSA-N
XLogP4.29
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-Nitro-3-phenyl-1H-indazole
CID 617444
14,15-Diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2,4,6,9(16),10,12-heptaene
CID 155529132
3-(3-nitrophenyl)-1H-indazole
CID 134147571
6-phenyl-3-[(E)-2-phenylethenyl]-1H-indazole
CID 21877357
6-(1-phenylethenyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 21877418
3-[1-[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]ethenyl]aniline
CID 21877483
3-methyl-5-nitro-1H-indazole
CID 11229104
3-(4-nitrophenyl)-5-(2-phenylphenyl)-1H-pyrazole
CID 46888159
3-phenyl-1H-phenanthro[9,10-c]pyrazole
CID 421534
5-Nitro-3-(trifluoromethyl)-1H-indazole
CID 54105165
3-Methylbenzindazol
CID 21609290
3-naphthalen-2-yl-5-phenyl-1H-pyrazole
CID 50992102

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-nitro-1H-indazole?
The IUPAC name of 3-naphthalen-2-yl-5-nitro-1H-indazole (CID 22479757) is 3-naphthalen-2-yl-5-nitro-1H-indazole.
What is the SMILES notation for 3-naphthalen-2-yl-5-nitro-1H-indazole?
The canonical SMILES for 3-naphthalen-2-yl-5-nitro-1H-indazole is O=[N+]([O-])c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 3-naphthalen-2-yl-5-nitro-1H-indazole?
The InChIKey is BBXWKRYVNLPACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-20(22)14-7-8-16-15(10-14)17(19-18-16)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,18,19).
What are the key properties of 3-naphthalen-2-yl-5-nitro-1H-indazole?
3-naphthalen-2-yl-5-nitro-1H-indazole has a molecular weight of 289.29 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-nitro-1H-indazole is sourced from PubChem (CID 22479757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).