3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

C81H91BBrN9O4Si2 — CID 157464759

IUPAC3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.Cc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2COCC[Si](C)(C)C.Cc1ccncc1Br
InChIInChI=1S/C27H37BN2O3Si.C27H31N3OSi.C21H17N3.C6H6BrN/c1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;1-21-14-15-28-19-25(21)23-11-13-27-24(18-23)26(12-10-22-8-6-5-7-9-22)29-30(27)20-31-16-17-32(2,3)4;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-5-2-3-8-4-6(5)7/h8-16,19H,17-18,20H2,1-7H3;5-15,18-19H,16-17,20H2,1-4H3;2-14H,1H3,(H,23,24);2-4H,1H3/b15-13+;12-10+;9-7+;
InChIKeyBUIMMZZTBZLETQ-ZORPNBMLSA-N
MW1401.57 g/mol
LogP19.96
Rot. Bonds19

About 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane

3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 157464759) has the molecular formula C81H91BBrN9O4Si2 and a molecular weight of 1401.57 g/mol. Its IUPAC name is 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID157464759
Molecular FormulaC81H91BBrN9O4Si2
Molecular Weight1401.57 g/mol
Exact Mass1399.60
IUPAC Name3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
SMILESCC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.Cc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2COCC[Si](C)(C)C.Cc1ccncc1Br
InChIInChI=1S/C27H37BN2O3Si.C27H31N3OSi.C21H17N3.C6H6BrN/c1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;1-21-14-15-28-19-25(21)23-11-13-27-24(18-23)26(12-10-22-8-6-5-7-9-22)29-30(27)20-31-16-17-32(2,3)4;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-5-2-3-8-4-6(5)7/h8-16,19H,17-18,20H2,1-7H3;5-15,18-19H,16-17,20H2,1-4H3;2-14H,1H3,(H,23,24);2-4H,1H3/b15-13+;12-10+;9-7+;
InChIKeyBUIMMZZTBZLETQ-ZORPNBMLSA-N
XLogP19.96
TPSA139.91 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.57
LogP ≤ 519.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157400458
4-chloro-3-ethyl-5-iodopyridine;5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;2-[[5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;4-chloro-3-iodopyridine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 157557315
4-bromo-5-fluoroisoquinoline;4-bromoisoquinolin-5-amine;5-fluoro-4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinoline;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157775922
4-bromo-3-methylpyridine;1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 157825809
1,5-dimethyl-3-[(E)-2-phenylethenyl]indazole;methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]isoquinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline
CID 157845667
5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;2-[[5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;bis(4-chloro-3-iodopyridine);trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 157920025
2-[[5-iodo-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[5-isoquinolin-4-yl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 158033194
3-bromo-4-methylpyridine;1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 158090129
bis(4-bromo-5-fluoroisoquinoline);2-[[5-(5-fluoroisoquinolin-4-yl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl-trimethylsilane;5-fluoro-4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 158272025
methane;4-[1-methyl-3-[(E)-2-phenylethenyl]indazol-5-yl]quinoline;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;molecular hydrogen;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]quinoline
CID 158423439
4-bromoisoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinolin-8-amine;4-[3-[(E)-2-phenylethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]isoquinolin-8-amine;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 159344079
bis(2-ethoxyethyl(trimethyl)silane);1H-indazol-5-amine;bis(5-iodo-1H-indazole);bis(5-pyridin-3-yl-1H-indazole)
CID 159369515

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane (CID 157464759) is 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is CC1(C)OB(c2ccc3c(c2)c(/C=C/c2ccccc2)nn3COCC[Si](C)(C)C)OC1(C)C.Cc1ccncc1-c1ccc2[nH]nc(/C=C/c3ccccc3)c2c1.Cc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2COCC[Si](C)(C)C.Cc1ccncc1Br.
What is the InChIKey of 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is BUIMMZZTBZLETQ-ZORPNBMLSA-N. The full InChI is InChI=1S/C27H37BN2O3Si.C27H31N3OSi.C21H17N3.C6H6BrN/c1-26(2)27(3,4)33-28(32-26)22-14-16-25-23(19-22)24(15-13-21-11-9-8-10-12-21)29-30(25)20-31-17-18-34(5,6)7;1-21-14-15-28-19-25(21)23-11-13-27-24(18-23)26(12-10-22-8-6-5-7-9-22)29-30(27)20-31-16-17-32(2,3)4;1-15-11-12-22-14-19(15)17-8-10-21-18(13-17)20(23-24-21)9-7-16-5-3-2-4-6-16;1-5-2-3-8-4-6(5)7/h8-16,19H,17-18,20H2,1-7H3;5-15,18-19H,16-17,20H2,1-4H3;2-14H,1H3,(H,23,24);2-4H,1H3/b15-13+;12-10+;9-7+;.
What are the key properties of 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane?
3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1401.57 g/mol, XLogP of 19.96, 19 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;trimethyl-[2-[[5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 157464759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).