6-bromo-7-methoxy-1-methylindazole

C9H9BrN2O — CID 156819031

IUPAC6-bromo-7-methoxy-1-methylindazole
SMILESCOc1c(Br)ccc2cnn(C)c12
InChIInChI=1S/C9H9BrN2O/c1-12-8-6(5-11-12)3-4-7(10)9(8)13-2/h3-5H,1-2H3
InChIKeyVSEBTSJOAFVIFC-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.34
Rot. Bonds1

About 6-bromo-7-methoxy-1-methylindazole

6-bromo-7-methoxy-1-methylindazole (PubChem CID 156819031) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 6-bromo-7-methoxy-1-methylindazole.

Molecular Properties

Compound Name6-bromo-7-methoxy-1-methylindazole
PubChem CID156819031
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name6-bromo-7-methoxy-1-methylindazole
SMILESCOc1c(Br)ccc2cnn(C)c12
InChIInChI=1S/C9H9BrN2O/c1-12-8-6(5-11-12)3-4-7(10)9(8)13-2/h3-5H,1-2H3
InChIKeyVSEBTSJOAFVIFC-UHFFFAOYSA-N
XLogP2.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 134950291
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CID 57418762
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CID 67416478
CID 67416478
CID 67417764
CID 67417764
CID 68310633
CID 68310633
CID 68310852
CID 68310852
CID 123322312
CID 123322312
CID 133054758
CID 133054758
CID 135339688
CID 135339688
CID 139983031
CID 139983031
CID 150550833
CID 150550833
CID 151069242
CID 151069242

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methoxy-1-methylindazole?
The IUPAC name of 6-bromo-7-methoxy-1-methylindazole (CID 156819031) is 6-bromo-7-methoxy-1-methylindazole.
What is the SMILES notation for 6-bromo-7-methoxy-1-methylindazole?
The canonical SMILES for 6-bromo-7-methoxy-1-methylindazole is COc1c(Br)ccc2cnn(C)c12.
What is the InChIKey of 6-bromo-7-methoxy-1-methylindazole?
The InChIKey is VSEBTSJOAFVIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-8-6(5-11-12)3-4-7(10)9(8)13-2/h3-5H,1-2H3.
What are the key properties of 6-bromo-7-methoxy-1-methylindazole?
6-bromo-7-methoxy-1-methylindazole has a molecular weight of 241.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-methoxy-1-methylindazole is sourced from PubChem (CID 156819031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).