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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Related Compounds

2-(2-chloro-5-fluoro-3-pyridinyl)ethynyl-trimethylsilane
CID 170905430
2-chloro-4-methyl-6-(2-trimethylsilylethynyl)aniline
CID 10752383
5-chloro-6-fluoro-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 156715435
4-amino-2-chloro-5-(2-trimethylsilylethynyl)benzonitrile
CID 86222791
2-[2,4-difluoro-5-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 102134851
2-[4-[3,4-bis(2-trimethylsilylethynyl)phenyl]-2-(2-trimethylsilylethynyl)phenyl]ethynyl-trimethylsilane
CID 5249685
5,6-dimethyl-3-(2-trimethylsilylethynyl)pyridin-2-amine
CID 59747902
6-methyl-5-(2-trimethylsilylethynyl)pyridin-3-amine
CID 171781768
4-iodo-3-(2-trimethylsilylethynyl)aniline
CID 174149148
3,6-dichloro-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]pyridazine
CID 87083942
trimethyl-[2-[3-(2-trimethylsilylethynyl)pentacen-2-yl]ethynyl]silane
CID 90751559
CID 88986895
CID 88986895

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).