5-bromo-2-ethylindazole

C9H9BrN2 — CID 22558977

IUPAC5-bromo-2-ethylindazole
SMILESCCn1cc2cc(Br)ccc2n1
InChIInChI=1S/C9H9BrN2/c1-2-12-6-7-5-8(10)3-4-9(7)11-12/h3-6H,2H2,1H3
InChIKeyHQGWVFUIGSFDSL-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.82
Rot. Bonds1

About 5-bromo-2-ethylindazole

5-bromo-2-ethylindazole (PubChem CID 22558977) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 5-bromo-2-ethylindazole.

Molecular Properties

Compound Name5-bromo-2-ethylindazole
PubChem CID22558977
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name5-bromo-2-ethylindazole
SMILESCCn1cc2cc(Br)ccc2n1
InChIInChI=1S/C9H9BrN2/c1-2-12-6-7-5-8(10)3-4-9(7)11-12/h3-6H,2H2,1H3
InChIKeyHQGWVFUIGSFDSL-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 5-bromo-2-ethylindazole?
The IUPAC name of 5-bromo-2-ethylindazole (CID 22558977) is 5-bromo-2-ethylindazole.
What is the SMILES notation for 5-bromo-2-ethylindazole?
The canonical SMILES for 5-bromo-2-ethylindazole is CCn1cc2cc(Br)ccc2n1.
What is the InChIKey of 5-bromo-2-ethylindazole?
The InChIKey is HQGWVFUIGSFDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-2-12-6-7-5-8(10)3-4-9(7)11-12/h3-6H,2H2,1H3.
What are the key properties of 5-bromo-2-ethylindazole?
5-bromo-2-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 5-bromo-2-ethylindazole is sourced from PubChem (CID 22558977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).