tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane

C13H23ClN2O4Si — CID 175965080

IUPACtert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOC1(Cl)NC=CC=C1[N+](=O)[O-]
InChIInChI=1S/C13H23ClN2O4Si/c1-12(2,3)21(4,5)20-10-9-19-13(14)11(16(17)18)7-6-8-15-13/h6-8,15H,9-10H2,1-5H3
InChIKeyFYJDLVRSMIWQEG-UHFFFAOYSA-N
MW334.88 g/mol
LogP3.19
Rot. Bonds6

About tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane

tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane (PubChem CID 175965080) has the molecular formula C13H23ClN2O4Si and a molecular weight of 334.88 g/mol. Its IUPAC name is tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane
PubChem CID175965080
Molecular FormulaC13H23ClN2O4Si
Molecular Weight334.88 g/mol
Exact Mass334.11
IUPAC Nametert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOC1(Cl)NC=CC=C1[N+](=O)[O-]
InChIInChI=1S/C13H23ClN2O4Si/c1-12(2,3)21(4,5)20-10-9-19-13(14)11(16(17)18)7-6-8-15-13/h6-8,15H,9-10H2,1-5H3
InChIKeyFYJDLVRSMIWQEG-UHFFFAOYSA-N
XLogP3.19
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.88
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2-propan-2-yl-1H-pyridin-3-amine
CID 175965064
tert-butyl-[2-(2-chloro-4-nitroimidazol-1-yl)ethoxy]-dimethylsilane
CID 25232171
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-4-nitrobenzaldehyde
CID 58342218
tert-butyl-dimethyl-[2-(4-methyl-3-nitrophenoxy)ethoxy]silane
CID 69453503
2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6-(trifluoromethyl)-1H-pyridin-2-amine
CID 152528043
3-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-2-nitrobenzaldehyde
CID 22436279
tert-butyl-dimethyl-[2-methyl-2-(4-nitrophenyl)propoxy]silane
CID 58994475
tert-butyl-dimethyl-[4-(4-nitrophenyl)but-3-ynoxy]silane
CID 134112604
(5S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 124735581
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane (CID 175965080) is tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOC1(Cl)NC=CC=C1[N+](=O)[O-].
What is the InChIKey of tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane?
The InChIKey is FYJDLVRSMIWQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN2O4Si/c1-12(2,3)21(4,5)20-10-9-19-13(14)11(16(17)18)7-6-8-15-13/h6-8,15H,9-10H2,1-5H3.
What are the key properties of tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane?
tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane has a molecular weight of 334.88 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(2-chloro-3-nitro-1H-pyridin-2-yl)oxy]ethoxy]-dimethylsilane is sourced from PubChem (CID 175965080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).