2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane

C9H10Cl2N2Si — CID 170916693

IUPAC2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(Cl)nnc1Cl
InChIInChI=1S/C9H10Cl2N2Si/c1-14(2,3)5-4-7-6-8(10)12-13-9(7)11/h6H,1-3H3
InChIKeySGMGTADBZOREKP-UHFFFAOYSA-N
MW245.19 g/mol
LogP3.01
Rot. Bonds

About 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane

2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane (PubChem CID 170916693) has the molecular formula C9H10Cl2N2Si and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane
PubChem CID170916693
Molecular FormulaC9H10Cl2N2Si
Molecular Weight245.19 g/mol
Exact Mass244.00
IUPAC Name2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#Cc1cc(Cl)nnc1Cl
InChIInChI=1S/C9H10Cl2N2Si/c1-14(2,3)5-4-7-6-8(10)12-13-9(7)11/h6H,1-3H3
InChIKeySGMGTADBZOREKP-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane (CID 170916693) is 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#Cc1cc(Cl)nnc1Cl.
What is the InChIKey of 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane?
The InChIKey is SGMGTADBZOREKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2Si/c1-14(2,3)5-4-7-6-8(10)12-13-9(7)11/h6H,1-3H3.
What are the key properties of 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane?
2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane has a molecular weight of 245.19 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dichloropyridazin-4-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 170916693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).