trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane

C11H14N2O2Si — CID 53484335

IUPACtrimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane
SMILESCc1nc(C#C[Si](C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O2Si/c1-9-11(13(14)15)6-5-10(12-9)7-8-16(2,3)4/h5-6H,1-4H3
InChIKeyKAJRAMCXXPCTLB-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.53
Rot. Bonds1

About trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane

trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane (PubChem CID 53484335) has the molecular formula C11H14N2O2Si and a molecular weight of 234.33 g/mol. Its IUPAC name is trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane
PubChem CID53484335
Molecular FormulaC11H14N2O2Si
Molecular Weight234.33 g/mol
Exact Mass234.08
IUPAC Nametrimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane
SMILESCc1nc(C#C[Si](C)(C)C)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H14N2O2Si/c1-9-11(13(14)15)6-5-10(12-9)7-8-16(2,3)4/h5-6H,1-4H3
InChIKeyKAJRAMCXXPCTLB-UHFFFAOYSA-N
XLogP2.53
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-(4-chlorobut-1-ynyl)-2-methyl-3-nitropyridine
CID 170468087
trimethyl-[2-(4-methyl-3-nitrophenyl)ethynyl]silane
CID 18925057
trimethyl-[2-(4-nitronaphthalen-1-yl)ethynyl]silane
CID 132565221
trimethyl-[2-[2-nitro-6-(2-trimethylsilylethynyl)phenyl]ethynyl]silane
CID 11565908
5-methyl-4-nitro-2-(2-trimethylsilylethynyl)aniline
CID 59276817
3-(6-methyl-5-nitro-2-pyridinyl)prop-2-en-1-amine
CID 169463871
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
3-[(6-methyl-5-nitro-2-pyridinyl)sulfanyl]butan-2-ol
CID 103764768
2-methyl-6-(4-methylimidazol-1-yl)-3-nitropyridine
CID 71235421
2-(2-methoxy-6-nitrophenyl)ethynyl-trimethylsilane
CID 165354100
6-(4-iodophenoxy)-2-methyl-3-nitropyridine
CID 80719025
2-methoxy-6-(3-methoxyprop-1-ynyl)-3-nitropyridine
CID 130268947

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane?
The IUPAC name of trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane (CID 53484335) is trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane.
What is the SMILES notation for trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane?
The canonical SMILES for trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane is Cc1nc(C#C[Si](C)(C)C)ccc1[N+](=O)[O-].
What is the InChIKey of trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane?
The InChIKey is KAJRAMCXXPCTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2Si/c1-9-11(13(14)15)6-5-10(12-9)7-8-16(2,3)4/h5-6H,1-4H3.
What are the key properties of trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane?
trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane has a molecular weight of 234.33 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(6-methyl-5-nitro-2-pyridinyl)ethynyl]silane is sourced from PubChem (CID 53484335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).