dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde

C21H24K2N2O6Si — CID 161352853

IUPACdipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde
SMILESC#Cc1ccc(C=O)cn1.CO.C[Si](C)(C)C#Cc1ccc(C=O)cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C11H13NOSi.C8H5NO.CH2O3.CH4O.2K.H/c1-14(2,3)7-6-11-5-4-10(9-13)8-12-11;1-2-8-4-3-7(6-10)5-9-8;2-1-4-3;1-2;;;/h4-5,8-9H,1-3H3;1,3-6H;1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1
InChIKeyVUYNHDUPGBMSDF-UHFFFAOYSA-M
MW506.71 g/mol
LogP-4.84
Rot. Bonds3

About dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde

dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde (PubChem CID 161352853) has the molecular formula C21H24K2N2O6Si and a molecular weight of 506.71 g/mol. Its IUPAC name is dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Namedipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde
PubChem CID161352853
Molecular FormulaC21H24K2N2O6Si
Molecular Weight506.71 g/mol
Exact Mass506.07
IUPAC Namedipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde
SMILESC#Cc1ccc(C=O)cn1.CO.C[Si](C)(C)C#Cc1ccc(C=O)cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C11H13NOSi.C8H5NO.CH2O3.CH4O.2K.H/c1-14(2,3)7-6-11-5-4-10(9-13)8-12-11;1-2-8-4-3-7(6-10)5-9-8;2-1-4-3;1-2;;;/h4-5,8-9H,1-3H3;1,3-6H;1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1
InChIKeyVUYNHDUPGBMSDF-UHFFFAOYSA-M
XLogP-4.84
TPSA129.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.71
LogP ≤ 5-4.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde?
The IUPAC name of dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde (CID 161352853) is dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde.
What is the SMILES notation for dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde?
The canonical SMILES for dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde is C#Cc1ccc(C=O)cn1.CO.C[Si](C)(C)C#Cc1ccc(C=O)cn1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde?
The InChIKey is VUYNHDUPGBMSDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H13NOSi.C8H5NO.CH2O3.CH4O.2K.H/c1-14(2,3)7-6-11-5-4-10(9-13)8-12-11;1-2-8-4-3-7(6-10)5-9-8;2-1-4-3;1-2;;;/h4-5,8-9H,1-3H3;1,3-6H;1,3H;2H,1H3;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde?
dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde has a molecular weight of 506.71 g/mol, XLogP of -4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;6-ethynylpyridine-3-carbaldehyde;hydride;methanol;oxido formate;6-(2-trimethylsilylethynyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 161352853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).