[(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane

C24H34BrNO3Si — CID 149129687

IUPAC[(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCCCOc1cc(-c2cncc(/C(=C/Br)CO[Si](C)(C)C(C)(C)C)c2)ccc1OC
InChIInChI=1S/C24H34BrNO3Si/c1-8-11-28-23-13-18(9-10-22(23)27-5)19-12-20(16-26-15-19)21(14-25)17-29-30(6,7)24(2,3)4/h9-10,12-16H,8,11,17H2,1-7H3/b21-14+
InChIKeyRCDKWQYLRYQPDK-KGENOOAVSA-N
MW492.53 g/mol
LogP7.30
Rot. Bonds9

About [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane

[(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane (PubChem CID 149129687) has the molecular formula C24H34BrNO3Si and a molecular weight of 492.53 g/mol. Its IUPAC name is [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane
PubChem CID149129687
Molecular FormulaC24H34BrNO3Si
Molecular Weight492.53 g/mol
Exact Mass491.15
IUPAC Name[(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane
SMILESCCCOc1cc(-c2cncc(/C(=C/Br)CO[Si](C)(C)C(C)(C)C)c2)ccc1OC
InChIInChI=1S/C24H34BrNO3Si/c1-8-11-28-23-13-18(9-10-22(23)27-5)19-12-20(16-26-15-19)21(14-25)17-29-30(6,7)24(2,3)4/h9-10,12-16H,8,11,17H2,1-7H3/b21-14+
InChIKeyRCDKWQYLRYQPDK-KGENOOAVSA-N
XLogP7.30
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enoxy]-dimethylsilane
CID 151087109
3-[(4R)-2,2-dihydroxy-1-oxa-2-boranuidacyclopent-4-yl]-5-(4-methoxy-3-propoxyphenyl)pyridine
CID 153474628
3-[2-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl methanesulfonate
CID 168735150
methyl 3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propanoate
CID 146460658
2-[(4S)-2-hydroxyoxaborolan-4-yl]-6-(4-methoxy-3-propoxyphenyl)pyrazine
CID 156778851
2-bromo-6-(4-methoxy-3-propoxyphenyl)pyridine
CID 146460657
5-(3,4-dimethoxyphenyl)-N-propylpyridine-3-carboxamide
CID 42845920
CID 175155956
CID 175155956
[3-hydroxy-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]propyl] acetate
CID 146460679
4-[[(4R)-2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]-1-oxa-2-boranuidacyclopent-2-yl]oxy]-2-methylpentan-2-ol
CID 153474619
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 42845914
2-[[(4R)-2-hydroxy-4-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]-1-oxa-2-boranuidacyclopent-2-yl]oxy]propan-1-ol
CID 153474615

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane (CID 149129687) is [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane is CCCOc1cc(-c2cncc(/C(=C/Br)CO[Si](C)(C)C(C)(C)C)c2)ccc1OC.
What is the InChIKey of [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is RCDKWQYLRYQPDK-KGENOOAVSA-N. The full InChI is InChI=1S/C24H34BrNO3Si/c1-8-11-28-23-13-18(9-10-22(23)27-5)19-12-20(16-26-15-19)21(14-25)17-29-30(6,7)24(2,3)4/h9-10,12-16H,8,11,17H2,1-7H3/b21-14+.
What are the key properties of [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane?
[(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 492.53 g/mol, XLogP of 7.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-bromo-2-[5-(4-methoxy-3-propoxyphenyl)-3-pyridinyl]prop-2-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 149129687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).