4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole

C10H11BrN2O3S — CID 166076541

IUPAC4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole
SMILESCn1cc2c(Br)ccc(OCS(C)(=O)=O)c2n1
InChIInChI=1S/C10H11BrN2O3S/c1-13-5-7-8(11)3-4-9(10(7)12-13)16-6-17(2,14)15/h3-5H,6H2,1-2H3
InChIKeyYOPREGLRATYXOA-UHFFFAOYSA-N
MW319.18 g/mol
LogP1.72
Rot. Bonds3

About 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole

4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole (PubChem CID 166076541) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole.

Molecular Properties

Compound Name4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole
PubChem CID166076541
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole
SMILESCn1cc2c(Br)ccc(OCS(C)(=O)=O)c2n1
InChIInChI=1S/C10H11BrN2O3S/c1-13-5-7-8(11)3-4-9(10(7)12-13)16-6-17(2,14)15/h3-5H,6H2,1-2H3
InChIKeyYOPREGLRATYXOA-UHFFFAOYSA-N
XLogP1.72
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole?
The IUPAC name of 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole (CID 166076541) is 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole.
What is the SMILES notation for 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole?
The canonical SMILES for 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole is Cn1cc2c(Br)ccc(OCS(C)(=O)=O)c2n1.
What is the InChIKey of 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole?
The InChIKey is YOPREGLRATYXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c1-13-5-7-8(11)3-4-9(10(7)12-13)16-6-17(2,14)15/h3-5H,6H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole?
4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole has a molecular weight of 319.18 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-7-(methylsulfonylmethoxy)indazole is sourced from PubChem (CID 166076541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).