trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane

C11H18N2O3Si — CID 177336110

IUPACtrimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane
SMILESCc1ccnc(OCC[Si](C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N2O3Si/c1-9-5-6-12-11(10(9)13(14)15)16-7-8-17(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyJSZMDGCXRAOPII-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.02
Rot. Bonds5

About trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane

trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane (PubChem CID 177336110) has the molecular formula C11H18N2O3Si and a molecular weight of 254.36 g/mol. Its IUPAC name is trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane
PubChem CID177336110
Molecular FormulaC11H18N2O3Si
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Nametrimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane
SMILESCc1ccnc(OCC[Si](C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N2O3Si/c1-9-5-6-12-11(10(9)13(14)15)16-7-8-17(2,3)4/h5-6H,7-8H2,1-4H3
InChIKeyJSZMDGCXRAOPII-UHFFFAOYSA-N
XLogP3.02
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methyl-3-nitro-2-pyridinyl)oxymethyl]pentan-3-amine
CID 64572343
(4-methyl-3-nitro-2-pyridinyl)methanol
CID 119088266
2-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]phenyl]ethanol
CID 107713600
[4-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexyl]methanol
CID 106825796
N-[ethoxy-[(4-methyl-3-nitro-2-pyridinyl)oxy]phosphoryl]propan-2-amine
CID 73350515
N-methyl-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 102634395
5-bromo-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]benzoic acid
CID 104629704
1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
trimethyl-[2-[(2-methyl-5-nitrophenoxy)methoxy]ethyl]silane
CID 173236661
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
4-methyl-3-nitro-2-pyrrol-1-ylpyridine
CID 14222918
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane (CID 177336110) is trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane is Cc1ccnc(OCC[Si](C)(C)C)c1[N+](=O)[O-].
What is the InChIKey of trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane?
The InChIKey is JSZMDGCXRAOPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3Si/c1-9-5-6-12-11(10(9)13(14)15)16-7-8-17(2,3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane?
trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane has a molecular weight of 254.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(4-methyl-3-nitro-2-pyridinyl)oxy]ethyl]silane is sourced from PubChem (CID 177336110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).