5-bromo-2-tert-butyl-4-chloroindazole

C11H12BrClN2 — CID 146308001

IUPAC5-bromo-2-tert-butyl-4-chloroindazole
SMILESCC(C)(C)n1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C11H12BrClN2/c1-11(2,3)15-6-7-9(14-15)5-4-8(12)10(7)13/h4-6H,1-3H3
InChIKeyWQUHJBQFFWBIGL-UHFFFAOYSA-N
MW287.59 g/mol
LogP4.21
Rot. Bonds

About 5-bromo-2-tert-butyl-4-chloroindazole

5-bromo-2-tert-butyl-4-chloroindazole (PubChem CID 146308001) has the molecular formula C11H12BrClN2 and a molecular weight of 287.59 g/mol. Its IUPAC name is 5-bromo-2-tert-butyl-4-chloroindazole.

Molecular Properties

Compound Name5-bromo-2-tert-butyl-4-chloroindazole
PubChem CID146308001
Molecular FormulaC11H12BrClN2
Molecular Weight287.59 g/mol
Exact Mass285.99
IUPAC Name5-bromo-2-tert-butyl-4-chloroindazole
SMILESCC(C)(C)n1cc2c(Cl)c(Br)ccc2n1
InChIInChI=1S/C11H12BrClN2/c1-11(2,3)15-6-7-9(14-15)5-4-8(12)10(7)13/h4-6H,1-3H3
InChIKeyWQUHJBQFFWBIGL-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.59
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-tert-butyl-4-chloroindazole?
The IUPAC name of 5-bromo-2-tert-butyl-4-chloroindazole (CID 146308001) is 5-bromo-2-tert-butyl-4-chloroindazole.
What is the SMILES notation for 5-bromo-2-tert-butyl-4-chloroindazole?
The canonical SMILES for 5-bromo-2-tert-butyl-4-chloroindazole is CC(C)(C)n1cc2c(Cl)c(Br)ccc2n1.
What is the InChIKey of 5-bromo-2-tert-butyl-4-chloroindazole?
The InChIKey is WQUHJBQFFWBIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN2/c1-11(2,3)15-6-7-9(14-15)5-4-8(12)10(7)13/h4-6H,1-3H3.
What are the key properties of 5-bromo-2-tert-butyl-4-chloroindazole?
5-bromo-2-tert-butyl-4-chloroindazole has a molecular weight of 287.59 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-tert-butyl-4-chloroindazole is sourced from PubChem (CID 146308001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).