2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane

C19H20BrClF3N3OSi — CID 158226496

IUPAC2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(Cl)ncc2C(F)(F)F)c2ccc(Br)cc21
InChIInChI=1S/C19H20BrClF3N3OSi/c1-29(2,3)7-6-28-11-27-10-14(13-5-4-12(20)8-16(13)27)17-15(19(22,23)24)9-25-18(21)26-17/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyGDVZPTNEEOWRIV-UHFFFAOYSA-N
MW506.83 g/mol
LogP6.85
Rot. Bonds6

About 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158226496) has the molecular formula C19H20BrClF3N3OSi and a molecular weight of 506.83 g/mol. Its IUPAC name is 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID158226496
Molecular FormulaC19H20BrClF3N3OSi
Molecular Weight506.83 g/mol
Exact Mass505.02
IUPAC Name2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(Cl)ncc2C(F)(F)F)c2ccc(Br)cc21
InChIInChI=1S/C19H20BrClF3N3OSi/c1-29(2,3)7-6-28-11-27-10-14(13-5-4-12(20)8-16(13)27)17-15(19(22,23)24)9-25-18(21)26-17/h4-5,8-10H,6-7,11H2,1-3H3
InChIKeyGDVZPTNEEOWRIV-UHFFFAOYSA-N
XLogP6.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.83
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane (CID 158226496) is 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2nc(Cl)ncc2C(F)(F)F)c2ccc(Br)cc21.
What is the InChIKey of 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is GDVZPTNEEOWRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClF3N3OSi/c1-29(2,3)7-6-28-11-27-10-14(13-5-4-12(20)8-16(13)27)17-15(19(22,23)24)9-25-18(21)26-17/h4-5,8-10H,6-7,11H2,1-3H3.
What are the key properties of 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 506.83 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158226496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).