(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane

C22H24BrNOSi — CID 10670102

IUPAC(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCc1ccnc(Br)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24BrNOSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-17-18-14-15-24-21(23)16-18/h4-16H,17H2,1-3H3
InChIKeyRZXAJQOCOBMRCH-UHFFFAOYSA-N
MW426.43 g/mol
LogP4.92
Rot. Bonds5

About (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane

(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane (PubChem CID 10670102) has the molecular formula C22H24BrNOSi and a molecular weight of 426.43 g/mol. Its IUPAC name is (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
PubChem CID10670102
Molecular FormulaC22H24BrNOSi
Molecular Weight426.43 g/mol
Exact Mass425.08
IUPAC Name(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCc1ccnc(Br)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H24BrNOSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-17-18-14-15-24-21(23)16-18/h4-16H,17H2,1-3H3
InChIKeyRZXAJQOCOBMRCH-UHFFFAOYSA-N
XLogP4.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyridin-2-amine
CID 59295334
(2-bromo-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 58538627
tert-butyl-[(4-tert-butylphenyl)methoxy]-diphenylsilane
CID 135028969
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]methanol
CID 69313641
2-bromo-4-(2,2-dimethylpropyl)pyridine
CID 89410737
tert-butyl-[(2-methylpyrazolo[1,5-a]pyridin-5-yl)methoxy]-diphenylsilane
CID 68704623
2-bromo-6-[[tert-butyl(diphenyl)silyl]oxymethyl]aniline
CID 153278666
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224
2-(4-bromophenoxy)ethoxy-tert-butyl-diphenylsilane
CID 91800510
9-bromo-7-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 155736284

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane?
The IUPAC name of (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane (CID 10670102) is (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane?
The canonical SMILES for (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCc1ccnc(Br)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane?
The InChIKey is RZXAJQOCOBMRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrNOSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)25-17-18-14-15-24-21(23)16-18/h4-16H,17H2,1-3H3.
What are the key properties of (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane?
(2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane has a molecular weight of 426.43 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-pyridinyl)methoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 10670102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).