2-ethyl-4-nitroindazole

C9H9N3O2 — CID 10987078

IUPAC2-ethyl-4-nitroindazole
SMILESCCn1cc2c([N+](=O)[O-])cccc2n1
InChIInChI=1S/C9H9N3O2/c1-2-11-6-7-8(10-11)4-3-5-9(7)12(13)14/h3-6H,2H2,1H3
InChIKeyYKDOSMVAWIRLKJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.96
Rot. Bonds2

About 2-ethyl-4-nitroindazole

2-ethyl-4-nitroindazole (PubChem CID 10987078) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-ethyl-4-nitroindazole.

Molecular Properties

Compound Name2-ethyl-4-nitroindazole
PubChem CID10987078
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-ethyl-4-nitroindazole
SMILESCCn1cc2c([N+](=O)[O-])cccc2n1
InChIInChI=1S/C9H9N3O2/c1-2-11-6-7-8(10-11)4-3-5-9(7)12(13)14/h3-6H,2H2,1H3
InChIKeyYKDOSMVAWIRLKJ-UHFFFAOYSA-N
XLogP1.96
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
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

2-Methyl-2H-indazol-6-amine
CID 590220
2-methyl-7-nitro-2H-indazole
CID 159668
1-benzyl-1H-indazole
CID 797066
2-Methyl-5-nitro-2H-indazole
CID 97550
2-Methyl-6-nitro-2H-indazole
CID 81289
6-Nitro-2-phenyl-2H-indazole
CID 555231
1H-Indazole, 1-methyl-6-nitro-
CID 81290
1-Methyl-1H-indazole
CID 139456
1-methyl-1H-indazol-5-amine
CID 2768032
1-Phenyl-1H-indazole
CID 304268
1-phenyl-4-{2,4,6-trisnitrophenyl}-1H-pyrazole
CID 4249116
2-(4-Methylphenyl)-6-nitro-2H-indazole
CID 620060

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-nitroindazole?
The IUPAC name of 2-ethyl-4-nitroindazole (CID 10987078) is 2-ethyl-4-nitroindazole.
What is the SMILES notation for 2-ethyl-4-nitroindazole?
The canonical SMILES for 2-ethyl-4-nitroindazole is CCn1cc2c([N+](=O)[O-])cccc2n1.
What is the InChIKey of 2-ethyl-4-nitroindazole?
The InChIKey is YKDOSMVAWIRLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-11-6-7-8(10-11)4-3-5-9(7)12(13)14/h3-6H,2H2,1H3.
What are the key properties of 2-ethyl-4-nitroindazole?
2-ethyl-4-nitroindazole has a molecular weight of 191.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-nitroindazole is sourced from PubChem (CID 10987078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).