methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid

C12H16N2O2Si — CID 69019386

IUPACmethyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid
SMILESCN(C(=O)O)c1ccc(C#C[Si](C)(C)C)cn1
InChIInChI=1S/C12H16N2O2Si/c1-14(12(15)16)11-6-5-10(9-13-11)7-8-17(2,3)4/h5-6,9H,1-4H3,(H,15,16)
InChIKeyCRMLLINWHCJNMR-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.42
Rot. Bonds1

About methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid

methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid (PubChem CID 69019386) has the molecular formula C12H16N2O2Si and a molecular weight of 248.36 g/mol. Its IUPAC name is methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid
PubChem CID69019386
Molecular FormulaC12H16N2O2Si
Molecular Weight248.36 g/mol
Exact Mass248.10
IUPAC Namemethyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid
SMILESCN(C(=O)O)c1ccc(C#C[Si](C)(C)C)cn1
InChIInChI=1S/C12H16N2O2Si/c1-14(12(15)16)11-6-5-10(9-13-11)7-8-17(2,3)4/h5-6,9H,1-4H3,(H,15,16)
InChIKeyCRMLLINWHCJNMR-UHFFFAOYSA-N
XLogP2.42
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
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 methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid?
The IUPAC name of methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid (CID 69019386) is methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid?
The canonical SMILES for methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid is CN(C(=O)O)c1ccc(C#C[Si](C)(C)C)cn1.
What is the InChIKey of methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid?
The InChIKey is CRMLLINWHCJNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2Si/c1-14(12(15)16)11-6-5-10(9-13-11)7-8-17(2,3)4/h5-6,9H,1-4H3,(H,15,16).
What are the key properties of methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid?
methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid has a molecular weight of 248.36 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[5-(2-trimethylsilylethynyl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 69019386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).