tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane

C15H25ClN2OSi — CID 156753397

IUPACtert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane
SMILESCc1cc(N2CC(O[Si](C)(C)C(C)(C)C)C2)cc(Cl)n1
InChIInChI=1S/C15H25ClN2OSi/c1-11-7-12(8-14(16)17-11)18-9-13(10-18)19-20(5,6)15(2,3)4/h7-8,13H,9-10H2,1-6H3
InChIKeyFRMKXMMKCFABEV-UHFFFAOYSA-N
MW312.92 g/mol
LogP4.25
Rot. Bonds3

About tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane

tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane (PubChem CID 156753397) has the molecular formula C15H25ClN2OSi and a molecular weight of 312.92 g/mol. Its IUPAC name is tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane
PubChem CID156753397
Molecular FormulaC15H25ClN2OSi
Molecular Weight312.92 g/mol
Exact Mass312.14
IUPAC Nametert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane
SMILESCc1cc(N2CC(O[Si](C)(C)C(C)(C)C)C2)cc(Cl)n1
InChIInChI=1S/C15H25ClN2OSi/c1-11-7-12(8-14(16)17-11)18-9-13(10-18)19-20(5,6)15(2,3)4/h7-8,13H,9-10H2,1-6H3
InChIKeyFRMKXMMKCFABEV-UHFFFAOYSA-N
XLogP4.25
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.92
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane
CID 166128654
(1S,5R)-3-(2-chloro-6-methyl-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129216587
[(3S)-1-(5-bromo-3-pyridinyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 86686011
3-[4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2,6-difluorophenyl]piperidine-2,6-dione
CID 172616861
[1-(4-bromophenyl)pyrrolidin-3-yl]oxy-tert-butyl-dimethylsilane
CID 67148861
tert-butyl-[(3S)-1-[2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-4-pyridinyl]pyrrolidin-3-yl]oxy-dimethylsilane
CID 171062291
1-[1-(2-chloro-6-methyl-4-pyridinyl)pyrrolidin-3-yl]prop-2-en-1-amine
CID 129232886
1-(2-chloro-6-methyl-4-pyridinyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711863
4-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 169118691
ethyl N-[[5-[3-[tert-butyl(dimethyl)silyl]oxyazetidin-1-yl]-2-pyridinyl]carbamothioyl]carbamate
CID 168750426
5-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]-3-methylpyridine-2-carboxylic acid
CID 169081409
tert-butyl-[(6-chloro-4-methyl-2-pyridinyl)methoxy]-dimethylsilane
CID 177328757

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane (CID 156753397) is tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane is Cc1cc(N2CC(O[Si](C)(C)C(C)(C)C)C2)cc(Cl)n1.
What is the InChIKey of tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane?
The InChIKey is FRMKXMMKCFABEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2OSi/c1-11-7-12(8-14(16)17-11)18-9-13(10-18)19-20(5,6)15(2,3)4/h7-8,13H,9-10H2,1-6H3.
What are the key properties of tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane?
tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane has a molecular weight of 312.92 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2-chloro-6-methyl-4-pyridinyl)azetidin-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 156753397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).