4-bromo-1-ethylindazole

C9H9BrN2 — CID 70697240

IUPAC4-bromo-1-ethylindazole
SMILESCCn1ncc2c(Br)cccc21
InChIInChI=1S/C9H9BrN2/c1-2-12-9-5-3-4-8(10)7(9)6-11-12/h3-6H,2H2,1H3
InChIKeyHBVGRZOFOCJQQN-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.82
Rot. Bonds1

About 4-bromo-1-ethylindazole

4-bromo-1-ethylindazole (PubChem CID 70697240) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 4-bromo-1-ethylindazole.

Molecular Properties

Compound Name4-bromo-1-ethylindazole
PubChem CID70697240
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name4-bromo-1-ethylindazole
SMILESCCn1ncc2c(Br)cccc21
InChIInChI=1S/C9H9BrN2/c1-2-12-9-5-3-4-8(10)7(9)6-11-12/h3-6H,2H2,1H3
InChIKeyHBVGRZOFOCJQQN-UHFFFAOYSA-N
XLogP2.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethylindazole?
The IUPAC name of 4-bromo-1-ethylindazole (CID 70697240) is 4-bromo-1-ethylindazole.
What is the SMILES notation for 4-bromo-1-ethylindazole?
The canonical SMILES for 4-bromo-1-ethylindazole is CCn1ncc2c(Br)cccc21.
What is the InChIKey of 4-bromo-1-ethylindazole?
The InChIKey is HBVGRZOFOCJQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-2-12-9-5-3-4-8(10)7(9)6-11-12/h3-6H,2H2,1H3.
What are the key properties of 4-bromo-1-ethylindazole?
4-bromo-1-ethylindazole has a molecular weight of 225.09 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethylindazole is sourced from PubChem (CID 70697240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).