2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane

C15H18BrFN2OSi — CID 167375991

IUPAC2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane
SMILES[C-]#[N+]c1cc2c(cc1F)c(Br)cn2COCC[Si](C)(C)C
InChIInChI=1S/C15H18BrFN2OSi/c1-18-14-8-15-11(7-13(14)17)12(16)9-19(15)10-20-5-6-21(2,3)4/h7-9H,5-6,10H2,2-4H3
InChIKeyLYFDDAPKKHJVFX-UHFFFAOYSA-N
MW369.31 g/mol
LogP5.41
Rot. Bonds5

About 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane

2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 167375991) has the molecular formula C15H18BrFN2OSi and a molecular weight of 369.31 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID167375991
Molecular FormulaC15H18BrFN2OSi
Molecular Weight369.31 g/mol
Exact Mass368.04
IUPAC Name2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane
SMILES[C-]#[N+]c1cc2c(cc1F)c(Br)cn2COCC[Si](C)(C)C
InChIInChI=1S/C15H18BrFN2OSi/c1-18-14-8-15-11(7-13(14)17)12(16)9-19(15)10-20-5-6-21(2,3)4/h7-9H,5-6,10H2,2-4H3
InChIKeyLYFDDAPKKHJVFX-UHFFFAOYSA-N
XLogP5.41
TPSA18.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.31
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluoroaniline
CID 142494847
2-[(4-bromo-6-chloroindol-1-yl)methoxy]ethyl-trimethylsilane
CID 140807311
2-[(3-bromo-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 141388912
2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175083132
2-[[5-bromo-4-chloro-3-(4-chloro-5-fluoro-2-methoxyphenyl)indol-1-yl]methoxy]ethyl-trimethylsilane
CID 67280301
2-[[3-bromo-4-(3-fluoro-4-methylphenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174084948
2-[[4-(4-bromo-3-fluorophenoxy)pyrrolo[3,2-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 90117077
2-[[7-bromo-2-(2-fluoro-3-pyridinyl)pyrrolo[3,2-d]pyrimidin-5-yl]methoxy]ethyl-trimethylsilane
CID 164881021
potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 160723156
2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176911692

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane (CID 167375991) is 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane is [C-]#[N+]c1cc2c(cc1F)c(Br)cn2COCC[Si](C)(C)C.
What is the InChIKey of 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is LYFDDAPKKHJVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2OSi/c1-18-14-8-15-11(7-13(14)17)12(16)9-19(15)10-20-5-6-21(2,3)4/h7-9H,5-6,10H2,2-4H3.
What are the key properties of 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 369.31 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167375991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).