3-bromo-7-methoxy-2-methylindazole

C9H9BrN2O — CID 84728148

IUPAC3-bromo-7-methoxy-2-methylindazole
SMILESCOc1cccc2c(Br)n(C)nc12
InChIInChI=1S/C9H9BrN2O/c1-12-9(10)6-4-3-5-7(13-2)8(6)11-12/h3-5H,1-2H3
InChIKeySSSATCYBIZMBTK-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.34
Rot. Bonds1

About 3-bromo-7-methoxy-2-methylindazole

3-bromo-7-methoxy-2-methylindazole (PubChem CID 84728148) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 3-bromo-7-methoxy-2-methylindazole.

Molecular Properties

Compound Name3-bromo-7-methoxy-2-methylindazole
PubChem CID84728148
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name3-bromo-7-methoxy-2-methylindazole
SMILESCOc1cccc2c(Br)n(C)nc12
InChIInChI=1S/C9H9BrN2O/c1-12-9(10)6-4-3-5-7(13-2)8(6)11-12/h3-5H,1-2H3
InChIKeySSSATCYBIZMBTK-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

7-methoxy-2-methylindazol-3-amine
CID 177108697
3-bromo-2-methylindazole-7-carbaldehyde
CID 84727881
1-(3-bromo-2-methylindazol-7-yl)-N-methylmethanamine
CID 84729187
3-bromo-7-methoxy-2,1-benzoxazole
CID 105485119
(8-methoxyquinolin-4-yl)methanol
CID 86714571
3-(2-bromo-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117453066
3-bromo-6-methoxy-2-methylindazole
CID 84728133
(3-bromo-7-methoxy-1-methylindol-2-yl)methanol
CID 115050313
(2,3-dimethylindazol-7-yl) acetate
CID 176566350
3-(8-methoxyquinolin-4-yl)propanal
CID 10846345
1-(8-methoxy-2-methylquinolin-4-yl)-N-methylmethanamine
CID 82449649
4-bromo-5-[(2-bromo-6-methoxyphenoxy)methyl]-1,3-dimethylpyrazole
CID 83140822

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-2-methylindazole?
The IUPAC name of 3-bromo-7-methoxy-2-methylindazole (CID 84728148) is 3-bromo-7-methoxy-2-methylindazole.
What is the SMILES notation for 3-bromo-7-methoxy-2-methylindazole?
The canonical SMILES for 3-bromo-7-methoxy-2-methylindazole is COc1cccc2c(Br)n(C)nc12.
What is the InChIKey of 3-bromo-7-methoxy-2-methylindazole?
The InChIKey is SSSATCYBIZMBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c1-12-9(10)6-4-3-5-7(13-2)8(6)11-12/h3-5H,1-2H3.
What are the key properties of 3-bromo-7-methoxy-2-methylindazole?
3-bromo-7-methoxy-2-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 3-bromo-7-methoxy-2-methylindazole is sourced from PubChem (CID 84728148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).