4-bromo-1-(2-methoxyethyl)-5-nitroindazole

C10H10BrN3O3 — CID 168988283

IUPAC4-bromo-1-(2-methoxyethyl)-5-nitroindazole
SMILESCOCCn1ncc2c(Br)c([N+](=O)[O-])ccc21
InChIInChI=1S/C10H10BrN3O3/c1-17-5-4-13-8-2-3-9(14(15)16)10(11)7(8)6-12-13/h2-3,6H,4-5H2,1H3
InChIKeyYHNSBUMOGSQGMK-UHFFFAOYSA-N
MW300.11 g/mol
LogP2.35
Rot. Bonds4

About 4-bromo-1-(2-methoxyethyl)-5-nitroindazole

4-bromo-1-(2-methoxyethyl)-5-nitroindazole (PubChem CID 168988283) has the molecular formula C10H10BrN3O3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)-5-nitroindazole.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)-5-nitroindazole
PubChem CID168988283
Molecular FormulaC10H10BrN3O3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name4-bromo-1-(2-methoxyethyl)-5-nitroindazole
SMILESCOCCn1ncc2c(Br)c([N+](=O)[O-])ccc21
InChIInChI=1S/C10H10BrN3O3/c1-17-5-4-13-8-2-3-9(14(15)16)10(11)7(8)6-12-13/h2-3,6H,4-5H2,1H3
InChIKeyYHNSBUMOGSQGMK-UHFFFAOYSA-N
XLogP2.35
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-methoxyethyl)-5-nitroindazole?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)-5-nitroindazole (CID 168988283) is 4-bromo-1-(2-methoxyethyl)-5-nitroindazole.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)-5-nitroindazole?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)-5-nitroindazole is COCCn1ncc2c(Br)c([N+](=O)[O-])ccc21.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)-5-nitroindazole?
The InChIKey is YHNSBUMOGSQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3/c1-17-5-4-13-8-2-3-9(14(15)16)10(11)7(8)6-12-13/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-1-(2-methoxyethyl)-5-nitroindazole?
4-bromo-1-(2-methoxyethyl)-5-nitroindazole has a molecular weight of 300.11 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)-5-nitroindazole is sourced from PubChem (CID 168988283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).