5-bromo-2,3-dimethylindazole

C9H9BrN2 — CID 11499567

IUPAC5-bromo-2,3-dimethylindazole
SMILESCc1c2cc(Br)ccc2nn1C
InChIInChI=1S/C9H9BrN2/c1-6-8-5-7(10)3-4-9(8)11-12(6)2/h3-5H,1-2H3
InChIKeyUSVKOVKNBREERF-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.64
Rot. Bonds

About 5-bromo-2,3-dimethylindazole

5-bromo-2,3-dimethylindazole (PubChem CID 11499567) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 5-bromo-2,3-dimethylindazole.

Molecular Properties

Compound Name5-bromo-2,3-dimethylindazole
PubChem CID11499567
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name5-bromo-2,3-dimethylindazole
SMILESCc1c2cc(Br)ccc2nn1C
InChIInChI=1S/C9H9BrN2/c1-6-8-5-7(10)3-4-9(8)11-12(6)2/h3-5H,1-2H3
InChIKeyUSVKOVKNBREERF-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethylindazole?
The IUPAC name of 5-bromo-2,3-dimethylindazole (CID 11499567) is 5-bromo-2,3-dimethylindazole.
What is the SMILES notation for 5-bromo-2,3-dimethylindazole?
The canonical SMILES for 5-bromo-2,3-dimethylindazole is Cc1c2cc(Br)ccc2nn1C.
What is the InChIKey of 5-bromo-2,3-dimethylindazole?
The InChIKey is USVKOVKNBREERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-6-8-5-7(10)3-4-9(8)11-12(6)2/h3-5H,1-2H3.
What are the key properties of 5-bromo-2,3-dimethylindazole?
5-bromo-2,3-dimethylindazole has a molecular weight of 225.09 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethylindazole is sourced from PubChem (CID 11499567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).