5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole

C12H15BrN2O2 — CID 178050969

IUPAC5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole
SMILESCCOCOc1c(Br)cc2cn(C)nc2c1C
InChIInChI=1S/C12H15BrN2O2/c1-4-16-7-17-12-8(2)11-9(5-10(12)13)6-15(3)14-11/h5-6H,4,7H2,1-3H3
InChIKeyRVLRTIJQARFZTF-UHFFFAOYSA-N
MW299.17 g/mol
LogP3.02
Rot. Bonds4

About 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole

5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole (PubChem CID 178050969) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole.

Molecular Properties

Compound Name5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole
PubChem CID178050969
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC Name5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole
SMILESCCOCOc1c(Br)cc2cn(C)nc2c1C
InChIInChI=1S/C12H15BrN2O2/c1-4-16-7-17-12-8(2)11-9(5-10(12)13)6-15(3)14-11/h5-6H,4,7H2,1-3H3
InChIKeyRVLRTIJQARFZTF-UHFFFAOYSA-N
XLogP3.02
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-Bromo-2-(4-methoxybenzyl)-2h-indazole
CID 44240126
5-Bromo-1-(4-fluorophenyl)-6-methoxyindazole
CID 67069711
5-Bromo-6-(difluoromethoxy)-1-methyl-1H-indazole
CID 145710744
5-Bromo-4-(difluoromethoxy)-1-ethylindazole
CID 150217066
2-[[5-Bromo-6-(difluoromethoxy)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153278784
2-[[5-Bromo-6-(difluoromethoxy)indazol-2-yl]methoxy]ethyl-trimethylsilane
CID 153278822
[4-(5-Bromo-7-fluoro-6-methoxyindazol-2-yl)cyclohexyl]methanol
CID 155437638
[4-[5-Bromo-6-(difluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 155437744
[4-[5-Bromo-6-(trifluoromethoxy)indazol-2-yl]cyclohexyl]methanol
CID 155438039
5-Bromo-6-(difluoromethoxy)-2-(4-methoxycyclohexyl)indazole
CID 155751741
5-Bromo-7-fluoro-4-methoxy-2-methyl-indazole
CID 162433055
5-Bromo-7-fluoro-6-methoxy-2-methyl-2H-indazole
CID 162433124

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole?
The IUPAC name of 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole (CID 178050969) is 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole.
What is the SMILES notation for 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole?
The canonical SMILES for 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole is CCOCOc1c(Br)cc2cn(C)nc2c1C.
What is the InChIKey of 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole?
The InChIKey is RVLRTIJQARFZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-4-16-7-17-12-8(2)11-9(5-10(12)13)6-15(3)14-11/h5-6H,4,7H2,1-3H3.
What are the key properties of 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole?
5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole has a molecular weight of 299.17 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(ethoxymethoxy)-2,7-dimethylindazole is sourced from PubChem (CID 178050969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).