6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile

C16H4N6 — CID 158035055

IUPAC6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile
SMILESN#Cc1c(C#N)c(C#N)c(-c2ccncc2)c(C#N)c1C#N
InChIInChI=1S/C16H4N6/c17-5-11-12(6-18)14(8-20)16(10-1-3-22-4-2-10)15(9-21)13(11)7-19/h1-4H
InChIKeyFHQKEZLCHNZVOF-UHFFFAOYSA-N
MW280.25 g/mol
LogP2.11
Rot. Bonds1

About 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile

6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile (PubChem CID 158035055) has the molecular formula C16H4N6 and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile.

Molecular Properties

Compound Name6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile
PubChem CID158035055
Molecular FormulaC16H4N6
Molecular Weight280.25 g/mol
Exact Mass280.05
IUPAC Name6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile
SMILESN#Cc1c(C#N)c(C#N)c(-c2ccncc2)c(C#N)c1C#N
InChIInChI=1S/C16H4N6/c17-5-11-12(6-18)14(8-20)16(10-1-3-22-4-2-10)15(9-21)13(11)7-19/h1-4H
InChIKeyFHQKEZLCHNZVOF-UHFFFAOYSA-N
XLogP2.11
TPSA131.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-3,6-dipyridin-4-ylbenzonitrile
CID 58954286
4-pyridin-4-ylbenzonitrile
CID 4184629
2,3,5,6-tetrakis[3,6-di(propan-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 146342976
4-(2,3,5,6-tetraethynylphenyl)pyridine
CID 22280335
4-(2,4,6-trimethyl-3,5-dipyridin-4-ylphenyl)pyridine
CID 132532788
potassium 1-pyridin-4-ylpyridin-1-ium-2,3,4,5,6-pentacarbonitrile
CID 19379557
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064
4-amino-6-pyridin-4-ylpyrimidine-5-carbonitrile
CID 46739898
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carbonitrile
CID 121212221
2-pyridin-4-ylpyridine-4-carbonitrile
CID 46315387
1-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 96596668
gold;4-pyridin-4-ylpyridine
CID 159917709

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile?
The IUPAC name of 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile (CID 158035055) is 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile.
What is the SMILES notation for 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile?
The canonical SMILES for 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile is N#Cc1c(C#N)c(C#N)c(-c2ccncc2)c(C#N)c1C#N.
What is the InChIKey of 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile?
The InChIKey is FHQKEZLCHNZVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H4N6/c17-5-11-12(6-18)14(8-20)16(10-1-3-22-4-2-10)15(9-21)13(11)7-19/h1-4H.
What are the key properties of 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile?
6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile has a molecular weight of 280.25 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-ylbenzene-1,2,3,4,5-pentacarbonitrile is sourced from PubChem (CID 158035055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).