6-bromo-1-ethyl-4-methoxyindazole

C10H11BrN2O — CID 90309099

IUPAC6-bromo-1-ethyl-4-methoxyindazole
SMILESCCn1ncc2c(OC)cc(Br)cc21
InChIInChI=1S/C10H11BrN2O/c1-3-13-9-4-7(11)5-10(14-2)8(9)6-12-13/h4-6H,3H2,1-2H3
InChIKeyFTSIEKJOGVXNMA-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.83
Rot. Bonds2

About 6-bromo-1-ethyl-4-methoxyindazole

6-bromo-1-ethyl-4-methoxyindazole (PubChem CID 90309099) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 6-bromo-1-ethyl-4-methoxyindazole.

Molecular Properties

Compound Name6-bromo-1-ethyl-4-methoxyindazole
PubChem CID90309099
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name6-bromo-1-ethyl-4-methoxyindazole
SMILESCCn1ncc2c(OC)cc(Br)cc21
InChIInChI=1S/C10H11BrN2O/c1-3-13-9-4-7(11)5-10(14-2)8(9)6-12-13/h4-6H,3H2,1-2H3
InChIKeyFTSIEKJOGVXNMA-UHFFFAOYSA-N
XLogP2.83
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-ethyl-4-methoxyindazole?
The IUPAC name of 6-bromo-1-ethyl-4-methoxyindazole (CID 90309099) is 6-bromo-1-ethyl-4-methoxyindazole.
What is the SMILES notation for 6-bromo-1-ethyl-4-methoxyindazole?
The canonical SMILES for 6-bromo-1-ethyl-4-methoxyindazole is CCn1ncc2c(OC)cc(Br)cc21.
What is the InChIKey of 6-bromo-1-ethyl-4-methoxyindazole?
The InChIKey is FTSIEKJOGVXNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-3-13-9-4-7(11)5-10(14-2)8(9)6-12-13/h4-6H,3H2,1-2H3.
What are the key properties of 6-bromo-1-ethyl-4-methoxyindazole?
6-bromo-1-ethyl-4-methoxyindazole has a molecular weight of 255.11 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-ethyl-4-methoxyindazole is sourced from PubChem (CID 90309099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).