3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one

C23H26BrNO2Si — CID 150126238

IUPAC3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one
SMILESCC(C)(C)[Si](OCCn1cccc(Br)c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26BrNO2Si/c1-23(2,3)28(19-11-6-4-7-12-19,20-13-8-5-9-14-20)27-18-17-25-16-10-15-21(24)22(25)26/h4-16H,17-18H2,1-3H3
InChIKeyFAGYZXSJZUZJFX-UHFFFAOYSA-N
MW456.46 g/mol
LogP4.19
Rot. Bonds6

About 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one

3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one (PubChem CID 150126238) has the molecular formula C23H26BrNO2Si and a molecular weight of 456.46 g/mol. Its IUPAC name is 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one
PubChem CID150126238
Molecular FormulaC23H26BrNO2Si
Molecular Weight456.46 g/mol
Exact Mass455.09
IUPAC Name3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one
SMILESCC(C)(C)[Si](OCCn1cccc(Br)c1=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26BrNO2Si/c1-23(2,3)28(19-11-6-4-7-12-19,20-13-8-5-9-14-20)27-18-17-25-16-10-15-21(24)22(25)26/h4-16H,17-18H2,1-3H3
InChIKeyFAGYZXSJZUZJFX-UHFFFAOYSA-N
XLogP4.19
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one (CID 150126238) is 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one is CC(C)(C)[Si](OCCn1cccc(Br)c1=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one?
The InChIKey is FAGYZXSJZUZJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrNO2Si/c1-23(2,3)28(19-11-6-4-7-12-19,20-13-8-5-9-14-20)27-18-17-25-16-10-15-21(24)22(25)26/h4-16H,17-18H2,1-3H3.
What are the key properties of 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one?
3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one has a molecular weight of 456.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyridin-2-one is sourced from PubChem (CID 150126238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).