[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

C21H24BrNOSi — CID 58257410

IUPAC[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc(Br)cn3)ccc2c1
InChIInChI=1S/C21H24BrNOSi/c1-21(2,3)25(4,5)24-19-10-8-15-12-17(7-6-16(15)13-19)20-11-9-18(22)14-23-20/h6-14H,1-5H3
InChIKeyWODAAXACIOVPKB-UHFFFAOYSA-N
MW414.42 g/mol
LogP7.05
Rot. Bonds3

About [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane

[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 58257410) has the molecular formula C21H24BrNOSi and a molecular weight of 414.42 g/mol. Its IUPAC name is [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID58257410
Molecular FormulaC21H24BrNOSi
Molecular Weight414.42 g/mol
Exact Mass413.08
IUPAC Name[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc(Br)cn3)ccc2c1
InChIInChI=1S/C21H24BrNOSi/c1-21(2,3)25(4,5)24-19-10-8-15-12-17(7-6-16(15)13-19)20-11-9-18(22)14-23-20/h6-14H,1-5H3
InChIKeyWODAAXACIOVPKB-UHFFFAOYSA-N
XLogP7.05
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane (CID 58257410) is [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc2cc(-c3ccc(Br)cn3)ccc2c1.
What is the InChIKey of [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is WODAAXACIOVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNOSi/c1-21(2,3)25(4,5)24-19-10-8-15-12-17(7-6-16(15)13-19)20-11-9-18(22)14-23-20/h6-14H,1-5H3.
What are the key properties of [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane?
[6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 414.42 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-bromo-2-pyridinyl)naphthalen-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58257410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).