5-bromo-3-chloro-2,4-dimethylindazole

C9H8BrClN2 — CID 150719030

IUPAC5-bromo-3-chloro-2,4-dimethylindazole
SMILESCc1c(Br)ccc2nn(C)c(Cl)c12
InChIInChI=1S/C9H8BrClN2/c1-5-6(10)3-4-7-8(5)9(11)13(2)12-7/h3-4H,1-2H3
InChIKeyJPLWSWQATBNWNV-UHFFFAOYSA-N
MW259.53 g/mol
LogP3.30
Rot. Bonds

About 5-bromo-3-chloro-2,4-dimethylindazole

5-bromo-3-chloro-2,4-dimethylindazole (PubChem CID 150719030) has the molecular formula C9H8BrClN2 and a molecular weight of 259.53 g/mol. Its IUPAC name is 5-bromo-3-chloro-2,4-dimethylindazole.

Molecular Properties

Compound Name5-bromo-3-chloro-2,4-dimethylindazole
PubChem CID150719030
Molecular FormulaC9H8BrClN2
Molecular Weight259.53 g/mol
Exact Mass257.96
IUPAC Name5-bromo-3-chloro-2,4-dimethylindazole
SMILESCc1c(Br)ccc2nn(C)c(Cl)c12
InChIInChI=1S/C9H8BrClN2/c1-5-6(10)3-4-7-8(5)9(11)13(2)12-7/h3-4H,1-2H3
InChIKeyJPLWSWQATBNWNV-UHFFFAOYSA-N
XLogP3.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2,4-dimethylindazole?
The IUPAC name of 5-bromo-3-chloro-2,4-dimethylindazole (CID 150719030) is 5-bromo-3-chloro-2,4-dimethylindazole.
What is the SMILES notation for 5-bromo-3-chloro-2,4-dimethylindazole?
The canonical SMILES for 5-bromo-3-chloro-2,4-dimethylindazole is Cc1c(Br)ccc2nn(C)c(Cl)c12.
What is the InChIKey of 5-bromo-3-chloro-2,4-dimethylindazole?
The InChIKey is JPLWSWQATBNWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClN2/c1-5-6(10)3-4-7-8(5)9(11)13(2)12-7/h3-4H,1-2H3.
What are the key properties of 5-bromo-3-chloro-2,4-dimethylindazole?
5-bromo-3-chloro-2,4-dimethylindazole has a molecular weight of 259.53 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2,4-dimethylindazole is sourced from PubChem (CID 150719030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).