7-bromo-6-methoxy-1-methylindazole

C9H9BrN2O — CID 171662295

IUPAC7-bromo-6-methoxy-1-methylindazole
SMILESCOc1ccc2cnn(C)c2c1Br
InChIInChI=1S/C9H9BrN2O/c1-12-9-6(5-11-12)3-4-7(13-2)8(9)10/h3-5H,1-2H3
InChIKeyIHDCJZMXYCEMQJ-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.34
Rot. Bonds1

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

7-bromo-6-methoxy-1-methylindazole (PubChem CID 171662295) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 7-bromo-6-methoxy-1-methylindazole.

Molecular Properties

Compound Name7-bromo-6-methoxy-1-methylindazole
PubChem CID171662295
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name7-bromo-6-methoxy-1-methylindazole
SMILESCOc1ccc2cnn(C)c2c1Br
InChIInChI=1S/C9H9BrN2O/c1-12-9-6(5-11-12)3-4-7(13-2)8(9)10/h3-5H,1-2H3
InChIKeyIHDCJZMXYCEMQJ-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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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methoxy-1-methylindazole?
The IUPAC name of 7-bromo-6-methoxy-1-methylindazole (CID 171662295) is 7-bromo-6-methoxy-1-methylindazole.
What is the SMILES notation for 7-bromo-6-methoxy-1-methylindazole?
The canonical SMILES for 7-bromo-6-methoxy-1-methylindazole is COc1ccc2cnn(C)c2c1Br.
What is the InChIKey of 7-bromo-6-methoxy-1-methylindazole?
The InChIKey is IHDCJZMXYCEMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-9-6(5-11-12)3-4-7(13-2)8(9)10/h3-5H,1-2H3.
What are the key properties of 7-bromo-6-methoxy-1-methylindazole?
7-bromo-6-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 7-bromo-6-methoxy-1-methylindazole is sourced from PubChem (CID 171662295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).