5-bromo-4-methoxy-3-methyl-2H-indazole

C9H9BrN2O — CID 84702333

IUPAC5-bromo-4-methoxy-3-methyl-2H-indazole
SMILESCOc1c(Br)ccc2n[nH]c(C)c12
InChIInChI=1S/C9H9BrN2O/c1-5-8-7(12-11-5)4-3-6(10)9(8)13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyOVCZQWFZIGDZRP-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.64
Rot. Bonds1

About 5-bromo-4-methoxy-3-methyl-2H-indazole

5-bromo-4-methoxy-3-methyl-2H-indazole (PubChem CID 84702333) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-4-methoxy-3-methyl-2H-indazole.

Molecular Properties

Compound Name5-bromo-4-methoxy-3-methyl-2H-indazole
PubChem CID84702333
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-4-methoxy-3-methyl-2H-indazole
SMILESCOc1c(Br)ccc2n[nH]c(C)c12
InChIInChI=1S/C9H9BrN2O/c1-5-8-7(12-11-5)4-3-6(10)9(8)13-2/h3-4H,1-2H3,(H,11,12)
InChIKeyOVCZQWFZIGDZRP-UHFFFAOYSA-N
XLogP2.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-3-methyl-2H-indazole?
The IUPAC name of 5-bromo-4-methoxy-3-methyl-2H-indazole (CID 84702333) is 5-bromo-4-methoxy-3-methyl-2H-indazole.
What is the SMILES notation for 5-bromo-4-methoxy-3-methyl-2H-indazole?
The canonical SMILES for 5-bromo-4-methoxy-3-methyl-2H-indazole is COc1c(Br)ccc2n[nH]c(C)c12.
What is the InChIKey of 5-bromo-4-methoxy-3-methyl-2H-indazole?
The InChIKey is OVCZQWFZIGDZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-5-8-7(12-11-5)4-3-6(10)9(8)13-2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 5-bromo-4-methoxy-3-methyl-2H-indazole?
5-bromo-4-methoxy-3-methyl-2H-indazole has a molecular weight of 241.09 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-3-methyl-2H-indazole is sourced from PubChem (CID 84702333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).