5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C77H127B3Br3ClI2N6O12Si3 — CID 162267564

IUPAC5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc2[nH]ccc2c1.C.CC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3n[nH]c(C=O)c3c2)OC1(C)C.CCI.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.CI.C[Si](C)(C)CCOCCl.O=Cc1[nH]nc2ccc(Br)cc12.O=Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BN2O3.C12H24B2O4.C9H6BrNO.C8H5BrN2O.C8H6BrN.2C7H18OSi.C6H15ClOSi.C2H5I.C2H6.CH3I.CH4/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-18)17-16-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-1-2-9-8(3-7)6(5-12)4-11-9;9-5-1-2-7-6(3-5)8(4-12)11-10-7;9-7-1-2-8-6(5-7)3-4-10-8;2*1-5-8-6-7-9(2,3)4;1-9(2,3)5-4-8-6-7;1-2-3;2*1-2;/h5-8H,1-4H3,(H,16,17);1-8H3;1-5,11H;1-4H,(H,10,11);1-5,10H;2*5-7H2,1-4H3;4-6H2,1-3H3;2H2,1H3;1-2H3;1H3;1H4
InChIKeyRLPOSBJHORECSU-UHFFFAOYSA-N
MW1974.56 g/mol
LogP23.15
Rot. Bonds17

About 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 162267564) has the molecular formula C77H127B3Br3ClI2N6O12Si3 and a molecular weight of 1974.56 g/mol. Its IUPAC name is 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID162267564
Molecular FormulaC77H127B3Br3ClI2N6O12Si3
Molecular Weight1974.56 g/mol
Exact Mass1970.44
IUPAC Name5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc2[nH]ccc2c1.C.CC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3n[nH]c(C=O)c3c2)OC1(C)C.CCI.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.CI.C[Si](C)(C)CCOCCl.O=Cc1[nH]nc2ccc(Br)cc12.O=Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H17BN2O3.C12H24B2O4.C9H6BrNO.C8H5BrN2O.C8H6BrN.2C7H18OSi.C6H15ClOSi.C2H5I.C2H6.CH3I.CH4/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-18)17-16-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-1-2-9-8(3-7)6(5-12)4-11-9;9-5-1-2-7-6(3-5)8(4-12)11-10-7;9-7-1-2-8-6(5-7)3-4-10-8;2*1-5-8-6-7-9(2,3)4;1-9(2,3)5-4-8-6-7;1-2-3;2*1-2;/h5-8H,1-4H3,(H,16,17);1-8H3;1-5,11H;1-4H,(H,10,11);1-5,10H;2*5-7H2,1-4H3;4-6H2,1-3H3;2H2,1H3;1-2H3;1H3;1H4
InChIKeyRLPOSBJHORECSU-UHFFFAOYSA-N
XLogP23.15
TPSA223.22 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001974.56
LogP ≤ 523.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 162267565
bis(5-bromo-2H-indazole-3-carbaldehyde);5-bromo-1H-indole;2-(chloromethoxy)ethyl-trimethylsilane;diiodomethane;bis(2-ethoxyethyl(trimethyl)silane);iodoform;iodomethane;iodomethane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;vanadium
CID 162267566

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 162267564) is 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc2[nH]ccc2c1.C.CC.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3n[nH]c(C=O)c3c2)OC1(C)C.CCI.CCOCC[Si](C)(C)C.CCOCC[Si](C)(C)C.CI.C[Si](C)(C)CCOCCl.O=Cc1[nH]nc2ccc(Br)cc12.O=Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is RLPOSBJHORECSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BN2O3.C12H24B2O4.C9H6BrNO.C8H5BrN2O.C8H6BrN.2C7H18OSi.C6H15ClOSi.C2H5I.C2H6.CH3I.CH4/c1-13(2)14(3,4)20-15(19-13)9-5-6-11-10(7-9)12(8-18)17-16-11;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;10-7-1-2-9-8(3-7)6(5-12)4-11-9;9-5-1-2-7-6(3-5)8(4-12)11-10-7;9-7-1-2-8-6(5-7)3-4-10-8;2*1-5-8-6-7-9(2,3)4;1-9(2,3)5-4-8-6-7;1-2-3;2*1-2;/h5-8H,1-4H3,(H,16,17);1-8H3;1-5,11H;1-4H,(H,10,11);1-5,10H;2*5-7H2,1-4H3;4-6H2,1-3H3;2H2,1H3;1-2H3;1H3;1H4.
What are the key properties of 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1974.56 g/mol, XLogP of 23.15, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2H-indazole-3-carbaldehyde;5-bromo-1H-indole;5-bromo-1H-indole-3-carbaldehyde;2-(chloromethoxy)ethyl-trimethylsilane;ethane;bis(2-ethoxyethyl(trimethyl)silane);iodoethane;iodomethane;methane;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 162267564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).