potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile

C15H4KN7+2 — CID 19379557

IUPACpotassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile
SMILESN#Cc1c(C#N)c(C#N)[n+](-c2ccncc2)c(C#N)c1C#N.[K+]
InChIInChI=1S/C15H4N7.K/c16-5-11-12(6-17)14(8-19)22(10-1-3-21-4-2-10)15(9-20)13(11)7-18;/h1-4H;/q2*+1
InChIKeyVMPGTTBBGZXLRW-UHFFFAOYSA-N
MW321.34 g/mol
LogP-2.28
Rot. Bonds1

About potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile

potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile (PubChem CID 19379557) has the molecular formula C15H4KN7+2 and a molecular weight of 321.34 g/mol. Its IUPAC name is potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile.

Molecular Properties

Compound Namepotassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile
PubChem CID19379557
Molecular FormulaC15H4KN7+2
Molecular Weight321.34 g/mol
Exact Mass321.02
IUPAC Namepotassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile
SMILESN#Cc1c(C#N)c(C#N)[n+](-c2ccncc2)c(C#N)c1C#N.[K+]
InChIInChI=1S/C15H4N7.K/c16-5-11-12(6-17)14(8-19)22(10-1-3-21-4-2-10)15(9-20)13(11)7-18;/h1-4H;/q2*+1
InChIKeyVMPGTTBBGZXLRW-UHFFFAOYSA-N
XLogP-2.28
TPSA135.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile
CID 158035055
azanide;pyridine-4-carbonitrile;bis(ruthenium(5+))
CID 22982392
4-pyridin-4-ylbenzonitrile
CID 4184629
2-phenyl-3,6-dipyridin-4-ylbenzonitrile
CID 58954286
4-amino-6-pyridin-4-ylpyrimidine-5-carbonitrile
CID 46739898
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carbonitrile
CID 121212221
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064
10-pyrazin-1-ium-1-yloxyanthracene-9-carbonitrile
CID 139737461
2-methylsulfanyl-6-pyridin-4-ylsulfanylbenzonitrile
CID 113385911
4-[(1R,2R,3S,4S)-2-(4-cyanophenyl)-3,4-dipyridin-4-ylcyclobutyl]benzonitrile
CID 102059489
5-chloro-3-propyl-1-pyridin-4-ylpyrazole-4-carbonitrile
CID 63788616
4-(oxan-4-yl)-6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonitrile
CID 137291673

Frequently Asked Questions

What is the IUPAC name of potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile?
The IUPAC name of potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile (CID 19379557) is potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile.
What is the SMILES notation for potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile?
The canonical SMILES for potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile is N#Cc1c(C#N)c(C#N)[n+](-c2ccncc2)c(C#N)c1C#N.[K+].
What is the InChIKey of potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile?
The InChIKey is VMPGTTBBGZXLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H4N7.K/c16-5-11-12(6-17)14(8-19)22(10-1-3-21-4-2-10)15(9-20)13(11)7-18;/h1-4H;/q2*+1.
What are the key properties of potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile?
potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile has a molecular weight of 321.34 g/mol, XLogP of -2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile is sourced from PubChem (CID 19379557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).