5-bromo-4-chloro-2-ethylindazole

C9H8BrClN2 — CID 146307837

IUPAC5-bromo-4-chloro-2-ethylindazole
SMILESCCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C9H8BrClN2/c1-2-13-5-6-8(12-13)4-3-7(10)9(6)11/h3-5H,2H2,1H3
InChIKeyDFHLXRBCFFQHFL-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.47
Rot. Bonds1

About 5-bromo-4-chloro-2-ethylindazole

5-bromo-4-chloro-2-ethylindazole (PubChem CID 146307837) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethylindazole.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethylindazole
PubChem CID146307837
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name5-bromo-4-chloro-2-ethylindazole
SMILESCCn1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C9H8BrClN2/c1-2-13-5-6-8(12-13)4-3-7(10)9(6)11/h3-5H,2H2,1H3
InChIKeyDFHLXRBCFFQHFL-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethylindazole?
The IUPAC name of 5-bromo-4-chloro-2-ethylindazole (CID 146307837) is 5-bromo-4-chloro-2-ethylindazole.
What is the SMILES notation for 5-bromo-4-chloro-2-ethylindazole?
The canonical SMILES for 5-bromo-4-chloro-2-ethylindazole is CCn1cc2c(Cl)c(Br)ccc2n1.
What is the InChIKey of 5-bromo-4-chloro-2-ethylindazole?
The InChIKey is DFHLXRBCFFQHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-2-13-5-6-8(12-13)4-3-7(10)9(6)11/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-ethylindazole?
5-bromo-4-chloro-2-ethylindazole has a molecular weight of 259.53 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-2-ethylindazole is sourced from PubChem (CID 146307837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).