4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane

C65H73BBr6N8O11 — CID 165079643

IUPAC4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane
SMILESBrc1ccc(Br)c2[nH]ncc12.C.CCOCc1cc(OC)c(-c2ccc(Br)c3c2cnn3C)c(OC)c1.CCOCc1cc(OC)c(-c2ccc(Br)c3cnn(C)c23)c(OC)c1.CCOCc1cc(OC)c(B(O)O)c(OC)c1.Cn1ncc2c(Br)ccc(Br)c21
InChIInChI=1S/2C19H21BrN2O3.C11H17BO5.C8H6Br2N2.C7H4Br2N2.CH4/c1-5-25-11-12-8-16(23-3)18(17(9-12)24-4)13-6-7-15(20)14-10-21-22(2)19(13)14;1-5-25-11-12-8-16(23-3)18(17(9-12)24-4)13-6-7-15(20)19-14(13)10-21-22(19)2;1-4-17-7-8-5-9(15-2)11(12(13)14)10(6-8)16-3;1-12-8-5(4-11-12)6(9)2-3-7(8)10;8-5-1-2-6(9)7-4(5)3-10-11-7;/h2*6-10H,5,11H2,1-4H3;5-6,13-14H,4,7H2,1-3H3;2-4H,1H3;1-3H,(H,10,11);1H4
InChIKeyUXEZBXLDDBCEHX-UHFFFAOYSA-N
MW1632.58 g/mol
LogP15.86
Rot. Bonds18

About 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane

4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane (PubChem CID 165079643) has the molecular formula C65H73BBr6N8O11 and a molecular weight of 1632.58 g/mol. Its IUPAC name is 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane.

Molecular Properties

Compound Name4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane
PubChem CID165079643
Molecular FormulaC65H73BBr6N8O11
Molecular Weight1632.58 g/mol
Exact Mass1626.06
IUPAC Name4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane
SMILESBrc1ccc(Br)c2[nH]ncc12.C.CCOCc1cc(OC)c(-c2ccc(Br)c3c2cnn3C)c(OC)c1.CCOCc1cc(OC)c(-c2ccc(Br)c3cnn(C)c23)c(OC)c1.CCOCc1cc(OC)c(B(O)O)c(OC)c1.Cn1ncc2c(Br)ccc(Br)c21
InChIInChI=1S/2C19H21BrN2O3.C11H17BO5.C8H6Br2N2.C7H4Br2N2.CH4/c1-5-25-11-12-8-16(23-3)18(17(9-12)24-4)13-6-7-15(20)14-10-21-22(2)19(13)14;1-5-25-11-12-8-16(23-3)18(17(9-12)24-4)13-6-7-15(20)19-14(13)10-21-22(19)2;1-4-17-7-8-5-9(15-2)11(12(13)14)10(6-8)16-3;1-12-8-5(4-11-12)6(9)2-3-7(8)10;8-5-1-2-6(9)7-4(5)3-10-11-7;/h2*6-10H,5,11H2,1-4H3;5-6,13-14H,4,7H2,1-3H3;2-4H,1H3;1-3H,(H,10,11);1H4
InChIKeyUXEZBXLDDBCEHX-UHFFFAOYSA-N
XLogP15.86
TPSA205.67 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001632.58
LogP ≤ 515.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane?
The IUPAC name of 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane (CID 165079643) is 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane.
What is the SMILES notation for 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane?
The canonical SMILES for 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane is Brc1ccc(Br)c2[nH]ncc12.C.CCOCc1cc(OC)c(-c2ccc(Br)c3c2cnn3C)c(OC)c1.CCOCc1cc(OC)c(-c2ccc(Br)c3cnn(C)c23)c(OC)c1.CCOCc1cc(OC)c(B(O)O)c(OC)c1.Cn1ncc2c(Br)ccc(Br)c21.
What is the InChIKey of 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane?
The InChIKey is UXEZBXLDDBCEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21BrN2O3.C11H17BO5.C8H6Br2N2.C7H4Br2N2.CH4/c1-5-25-11-12-8-16(23-3)18(17(9-12)24-4)13-6-7-15(20)14-10-21-22(2)19(13)14;1-5-25-11-12-8-16(23-3)18(17(9-12)24-4)13-6-7-15(20)19-14(13)10-21-22(19)2;1-4-17-7-8-5-9(15-2)11(12(13)14)10(6-8)16-3;1-12-8-5(4-11-12)6(9)2-3-7(8)10;8-5-1-2-6(9)7-4(5)3-10-11-7;/h2*6-10H,5,11H2,1-4H3;5-6,13-14H,4,7H2,1-3H3;2-4H,1H3;1-3H,(H,10,11);1H4.
What are the key properties of 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane?
4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane has a molecular weight of 1632.58 g/mol, XLogP of 15.86, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;7-bromo-4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]-1-methylindazole;4,7-dibromo-1H-indazole;4,7-dibromo-1-methylindazole;[4-(ethoxymethyl)-2,6-dimethoxyphenyl]boronic acid;methane is sourced from PubChem (CID 165079643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).