(5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane

C28H28BrNO2Si — CID 101418402

IUPAC(5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCc1cc(Br)ccc1Oc1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28BrNO2Si/c1-28(2,3)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-21-22-19-23(29)16-17-27(22)32-24-11-10-18-30-20-24/h4-20H,21H2,1-3H3
InChIKeyNUDXGLDPAIDAEY-UHFFFAOYSA-N
MW518.53 g/mol
LogP6.71
Rot. Bonds7

About (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane

(5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane (PubChem CID 101418402) has the molecular formula C28H28BrNO2Si and a molecular weight of 518.53 g/mol. Its IUPAC name is (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane
PubChem CID101418402
Molecular FormulaC28H28BrNO2Si
Molecular Weight518.53 g/mol
Exact Mass517.11
IUPAC Name(5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCc1cc(Br)ccc1Oc1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28BrNO2Si/c1-28(2,3)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-21-22-19-23(29)16-17-27(22)32-24-11-10-18-30-20-24/h4-20H,21H2,1-3H3
InChIKeyNUDXGLDPAIDAEY-UHFFFAOYSA-N
XLogP6.71
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.53
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-pyridin-3-yloxyaniline
CID 26190498
(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
CID 10670102
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1H-pyridin-2-one
CID 59410156
3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine
CID 68851049
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxy-5-iodophenoxy]acetonitrile
CID 10506695
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
2-[4-[2-(4-bromo-2-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy-tert-butyl-diphenylsilane
CID 91800460
2-[tert-butyl(diphenyl)silyl]oxy-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]ethanamine
CID 11146292
tert-butyl-[(4-chloro-2-fluoro-1-benzofuran-7-yl)methoxy]-diphenylsilane
CID 177129267
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81250294
tert-butyl-(5-iodopentoxy)-diphenylsilane
CID 10003991

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane?
The IUPAC name of (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane (CID 101418402) is (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCc1cc(Br)ccc1Oc1cccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane?
The InChIKey is NUDXGLDPAIDAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28BrNO2Si/c1-28(2,3)33(25-12-6-4-7-13-25,26-14-8-5-9-15-26)31-21-22-19-23(29)16-17-27(22)32-24-11-10-18-30-20-24/h4-20H,21H2,1-3H3.
What are the key properties of (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane?
(5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane has a molecular weight of 518.53 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridin-3-yloxyphenyl)methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 101418402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).