2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane

C10H17BrINOSi — CID 175083132

IUPAC2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)cc1Br
InChIInChI=1S/C10H17BrINOSi/c1-15(2,3)5-4-14-8-13-7-9(12)6-10(13)11/h6-7H,4-5,8H2,1-3H3
InChIKeyHZERWAPYWFBYKY-UHFFFAOYSA-N
MW402.15 g/mol
LogP4.17
Rot. Bonds5

About 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane

2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 175083132) has the molecular formula C10H17BrINOSi and a molecular weight of 402.15 g/mol. Its IUPAC name is 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID175083132
Molecular FormulaC10H17BrINOSi
Molecular Weight402.15 g/mol
Exact Mass400.93
IUPAC Name2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)cc1Br
InChIInChI=1S/C10H17BrINOSi/c1-15(2,3)5-4-14-8-13-7-9(12)6-10(13)11/h6-7H,4-5,8H2,1-3H3
InChIKeyHZERWAPYWFBYKY-UHFFFAOYSA-N
XLogP4.17
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.15
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
2-[[2-bromo-4-(difluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 176911692
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 87132869
2-[(2-bromo-3-fluoropyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175192974
lithium 2-[(2-iodo-4H-imidazol-4-id-1-yl)methoxy]ethyl-trimethylsilane
CID 23691317
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59276562
2-[(3-iodo-2-methoxypyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 175229511
4,6-dibromo-2-(2-trimethylsilylethoxymethyl)isoquinolin-1-one
CID 140829624
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane (CID 175083132) is 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(I)cc1Br.
What is the InChIKey of 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is HZERWAPYWFBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrINOSi/c1-15(2,3)5-4-14-8-13-7-9(12)6-10(13)11/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane?
2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 402.15 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-iodopyrrol-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175083132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).