2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone

C16H24BrNO2Si — CID 168866421

IUPAC2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone
SMILESCC(C)(C)[Si](C)(C)OC1(c2cc(C(=O)CBr)ccn2)CC1
InChIInChI=1S/C16H24BrNO2Si/c1-15(2,3)21(4,5)20-16(7-8-16)14-10-12(6-9-18-14)13(19)11-17/h6,9-10H,7-8,11H2,1-5H3
InChIKeyXIHWRGQWPUTGAK-UHFFFAOYSA-N
MW370.36 g/mol
LogP4.67
Rot. Bonds5

About 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone

2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone (PubChem CID 168866421) has the molecular formula C16H24BrNO2Si and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone
PubChem CID168866421
Molecular FormulaC16H24BrNO2Si
Molecular Weight370.36 g/mol
Exact Mass369.08
IUPAC Name2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone
SMILESCC(C)(C)[Si](C)(C)OC1(c2cc(C(=O)CBr)ccn2)CC1
InChIInChI=1S/C16H24BrNO2Si/c1-15(2,3)21(4,5)20-16(7-8-16)14-10-12(6-9-18-14)13(19)11-17/h6,9-10H,7-8,11H2,1-5H3
InChIKeyXIHWRGQWPUTGAK-UHFFFAOYSA-N
XLogP4.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone?
The IUPAC name of 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone (CID 168866421) is 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone.
What is the SMILES notation for 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone?
The canonical SMILES for 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone is CC(C)(C)[Si](C)(C)OC1(c2cc(C(=O)CBr)ccn2)CC1.
What is the InChIKey of 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone?
The InChIKey is XIHWRGQWPUTGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2Si/c1-15(2,3)21(4,5)20-16(7-8-16)14-10-12(6-9-18-14)13(19)11-17/h6,9-10H,7-8,11H2,1-5H3.
What are the key properties of 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone?
2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone has a molecular weight of 370.36 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-4-pyridinyl]ethanone is sourced from PubChem (CID 168866421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).