ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane

C12H18FNSi — CID 90942554

IUPACethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane
SMILESCC.C[Si](C)(C)C#Cc1cccnc1F
InChIInChI=1S/C10H12FNSi.C2H6/c1-13(2,3)8-6-9-5-4-7-12-10(9)11;1-2/h4-5,7H,1-3H3;1-2H3
InChIKeyCZEDHYSMGLJTPS-UHFFFAOYSA-N
MW223.37 g/mol
LogP3.48
Rot. Bonds

About ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane

ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane (PubChem CID 90942554) has the molecular formula C12H18FNSi and a molecular weight of 223.37 g/mol. Its IUPAC name is ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Nameethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane
PubChem CID90942554
Molecular FormulaC12H18FNSi
Molecular Weight223.37 g/mol
Exact Mass223.12
IUPAC Nameethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane
SMILESCC.C[Si](C)(C)C#Cc1cccnc1F
InChIInChI=1S/C10H12FNSi.C2H6/c1-13(2,3)8-6-9-5-4-7-12-10(9)11;1-2/h4-5,7H,1-3H3;1-2H3
InChIKeyCZEDHYSMGLJTPS-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.37
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane?
The IUPAC name of ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane (CID 90942554) is ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane.
What is the SMILES notation for ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane?
The canonical SMILES for ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane is CC.C[Si](C)(C)C#Cc1cccnc1F.
What is the InChIKey of ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane?
The InChIKey is CZEDHYSMGLJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNSi.C2H6/c1-13(2,3)8-6-9-5-4-7-12-10(9)11;1-2/h4-5,7H,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane?
ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane has a molecular weight of 223.37 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-fluoro-3-pyridinyl)ethynyl-trimethylsilane is sourced from PubChem (CID 90942554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).