2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane

C10H11ClFNSi — CID 170905430

IUPAC2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(F)cnc1Cl
InChIInChI=1S/C10H11ClFNSi/c1-14(2,3)5-4-8-6-9(12)7-13-10(8)11/h6-7H,1-3H3
InChIKeyGBGUIQCOLWGJJG-UHFFFAOYSA-N
MW227.74 g/mol
LogP3.10
Rot. Bonds

About 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane

2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane (PubChem CID 170905430) has the molecular formula C10H11ClFNSi and a molecular weight of 227.74 g/mol. Its IUPAC name is 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane
PubChem CID170905430
Molecular FormulaC10H11ClFNSi
Molecular Weight227.74 g/mol
Exact Mass227.03
IUPAC Name2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(F)cnc1Cl
InChIInChI=1S/C10H11ClFNSi/c1-14(2,3)5-4-8-6-9(12)7-13-10(8)11/h6-7H,1-3H3
InChIKeyGBGUIQCOLWGJJG-UHFFFAOYSA-N
XLogP3.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 53.10
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 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane (CID 170905430) is 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc(F)cnc1Cl.
What is the InChIKey of 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane?
The InChIKey is GBGUIQCOLWGJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNSi/c1-14(2,3)5-4-8-6-9(12)7-13-10(8)11/h6-7H,1-3H3.
What are the key properties of 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane?
2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane has a molecular weight of 227.74 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane is sourced from PubChem (CID 170905430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).