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'}

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Related Compounds

dipotassium;1-ethynyl-4-propylbenzene;hydride;methanol;oxido formate;trimethyl-[2-(4-propylphenyl)ethynyl]silane
CID 159779216
dipotassium;4-bromobenzaldehyde;ethynyl(trimethyl)silane;hydride;oxido formate;4-prop-1-ynylbenzaldehyde;4-(2-trimethylsilylethynyl)benzaldehyde
CID 162188594
dipotassium;hydride;methanol;methyl 3-(4-ethynylphenyl)propanoate;methyl 3-[4-(2-trimethylsilylethynyl)phenyl]propanoate;oxido formate
CID 159239477
dipotassium;1-ethynyl-4-phenylmethoxybenzene;ethynyl(trimethyl)silane;hydride;1-iodo-4-phenylmethoxybenzene;methanol;oxido formate;trimethyl-[2-(4-phenylmethoxyphenyl)ethynyl]silane
CID 157475703
6-[2-(4-iodophenyl)ethynyl]pyridine-3-carbaldehyde
CID 59154305
2-(2-trimethylsilylethynyl)pyridine-4-carbaldehyde
CID 151243956
5-formylpyridine-2-carbonitrile
CID 10986263
6-(2-trimethylsilylethynyl)pyridin-3-amine
CID 59853066
1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]ethanol
CID 172994132
[6-(2-trimethylsilylethynyl)-3-pyridinyl]carbamic acid
CID 66917597
1-[6-(2-trimethylsilylethynyl)-3-pyridinyl]propan-2-ol
CID 69330766
2-ethynyl-5-methoxypyridine
CID 175407476

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).