2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane

C12H17NOSi — CID 174018935

IUPAC2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane
SMILESCOCc1ccnc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C12H17NOSi/c1-14-10-11-5-7-13-12(9-11)6-8-15(2,3)4/h5,7,9H,10H2,1-4H3
InChIKeyNEKCYRAVDPTLHU-UHFFFAOYSA-N
MW219.36 g/mol
LogP2.46
Rot. Bonds2

About 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane

2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane (PubChem CID 174018935) has the molecular formula C12H17NOSi and a molecular weight of 219.36 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane
PubChem CID174018935
Molecular FormulaC12H17NOSi
Molecular Weight219.36 g/mol
Exact Mass219.11
IUPAC Name2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane
SMILESCOCc1ccnc(C#C[Si](C)(C)C)c1
InChIInChI=1S/C12H17NOSi/c1-14-10-11-5-7-13-12(9-11)6-8-15(2,3)4/h5,7,9H,10H2,1-4H3
InChIKeyNEKCYRAVDPTLHU-UHFFFAOYSA-N
XLogP2.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.36
LogP ≤ 52.46
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-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane?
The IUPAC name of 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane (CID 174018935) is 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane.
What is the SMILES notation for 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane?
The canonical SMILES for 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane is COCc1ccnc(C#C[Si](C)(C)C)c1.
What is the InChIKey of 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane?
The InChIKey is NEKCYRAVDPTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOSi/c1-14-10-11-5-7-13-12(9-11)6-8-15(2,3)4/h5,7,9H,10H2,1-4H3.
What are the key properties of 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane?
2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane has a molecular weight of 219.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-2-pyridinyl]ethynyl-trimethylsilane is sourced from PubChem (CID 174018935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).