ethane;4-pyridin-4-ylbenzonitrile

C14H14N2 — CID 142098064

IUPACethane;4-pyridin-4-ylbenzonitrile
SMILESCC.N#Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C12H8N2.C2H6/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12;1-2/h1-8H;1-2H3
InChIKeyQDGZEYKHWNWISL-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.65
Rot. Bonds1

About ethane;4-pyridin-4-ylbenzonitrile

ethane;4-pyridin-4-ylbenzonitrile (PubChem CID 142098064) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethane;4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Nameethane;4-pyridin-4-ylbenzonitrile
PubChem CID142098064
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Nameethane;4-pyridin-4-ylbenzonitrile
SMILESCC.N#Cc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C12H8N2.C2H6/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12;1-2/h1-8H;1-2H3
InChIKeyQDGZEYKHWNWISL-UHFFFAOYSA-N
XLogP3.65
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyridin-4-ylbenzonitrile
CID 4184629
ethane;4-pyridin-4-ylpyridine
CID 142013036
azanide;pyridine-4-carbonitrile;bis(ruthenium(5+))
CID 22982392
azulene-6-carbonitrile
CID 91533837
4-[(1R,2R,3S,4S)-2-(4-cyanophenyl)-3,4-dipyridin-4-ylcyclobutyl]benzonitrile
CID 102059489
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-(4-tert-butylphenyl)phenyl]benzonitrile
CID 68636211
4-[4-(2-trimethylsilylethynyl)phenyl]benzonitrile
CID 69484722
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
4-[[propyl(pyridin-4-ylmethyl)amino]methyl]benzonitrile
CID 56721825
4-(3-sulfanyl-4-pyridinyl)benzonitrile
CID 67997061

Frequently Asked Questions

What is the IUPAC name of ethane;4-pyridin-4-ylbenzonitrile?
The IUPAC name of ethane;4-pyridin-4-ylbenzonitrile (CID 142098064) is ethane;4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for ethane;4-pyridin-4-ylbenzonitrile?
The canonical SMILES for ethane;4-pyridin-4-ylbenzonitrile is CC.N#Cc1ccc(-c2ccncc2)cc1.
What is the InChIKey of ethane;4-pyridin-4-ylbenzonitrile?
The InChIKey is QDGZEYKHWNWISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C2H6/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12;1-2/h1-8H;1-2H3.
What are the key properties of ethane;4-pyridin-4-ylbenzonitrile?
ethane;4-pyridin-4-ylbenzonitrile has a molecular weight of 210.28 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 142098064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).