2-(5-nitroindazol-2-yl)ethyl methanesulfonate

C10H11N3O5S — CID 118253023

IUPAC2-(5-nitroindazol-2-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCn1cc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C10H11N3O5S/c1-19(16,17)18-5-4-12-7-8-6-9(13(14)15)2-3-10(8)11-12/h2-3,6-7H,4-5H2,1H3
InChIKeyWEXQVMLYPORCBM-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.92
Rot. Bonds5

About 2-(5-nitroindazol-2-yl)ethyl methanesulfonate

2-(5-nitroindazol-2-yl)ethyl methanesulfonate (PubChem CID 118253023) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-(5-nitroindazol-2-yl)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(5-nitroindazol-2-yl)ethyl methanesulfonate
PubChem CID118253023
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC Name2-(5-nitroindazol-2-yl)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCn1cc2cc([N+](=O)[O-])ccc2n1
InChIInChI=1S/C10H11N3O5S/c1-19(16,17)18-5-4-12-7-8-6-9(13(14)15)2-3-10(8)11-12/h2-3,6-7H,4-5H2,1H3
InChIKeyWEXQVMLYPORCBM-UHFFFAOYSA-N
XLogP0.92
TPSA104.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903
4-[2-(5-nitroindazol-2-yl)ethyl]morpholine
CID 23936574
5-nitro-2-(4-phenylbutyl)indazole
CID 66776382
1-(5-nitroindazol-2-yl)ethanamine
CID 162721802
5-benzyl-5-[[4-[2-(5-nitroindazol-2-yl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione
CID 46176151
2-(4-nitrophenyl)ethyl methanesulfonate
CID 12942079
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
CID 66712456
2-(cyclopropylmethyl)-6-nitroindazole
CID 59225440
2-[N-(2-bromoethyl)-2-cyano-4-nitroanilino]ethyl methanesulfonate
CID 141410795
[2-[(1S)-1-methylsulfonyloxyethyl]-4-nitrophenyl]methyl methanesulfonate
CID 125463050
4-nitro-2-[(3-nitropyrazol-1-yl)methyl]aniline
CID 62195239
2-(5-bromo-2-pyridinyl)-5-nitroindazole
CID 67126046

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitroindazol-2-yl)ethyl methanesulfonate?
The IUPAC name of 2-(5-nitroindazol-2-yl)ethyl methanesulfonate (CID 118253023) is 2-(5-nitroindazol-2-yl)ethyl methanesulfonate.
What is the SMILES notation for 2-(5-nitroindazol-2-yl)ethyl methanesulfonate?
The canonical SMILES for 2-(5-nitroindazol-2-yl)ethyl methanesulfonate is CS(=O)(=O)OCCn1cc2cc([N+](=O)[O-])ccc2n1.
What is the InChIKey of 2-(5-nitroindazol-2-yl)ethyl methanesulfonate?
The InChIKey is WEXQVMLYPORCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-19(16,17)18-5-4-12-7-8-6-9(13(14)15)2-3-10(8)11-12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-(5-nitroindazol-2-yl)ethyl methanesulfonate?
2-(5-nitroindazol-2-yl)ethyl methanesulfonate has a molecular weight of 285.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitroindazol-2-yl)ethyl methanesulfonate is sourced from PubChem (CID 118253023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).