6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile

C12H6N4 — CID 3491825

IUPAC6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cccc(C#N)n2)n1
InChIInChI=1S/C12H6N4/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H
InChIKeyKTYGOEZHIBSNMW-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.89
Rot. Bonds1

About 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile

6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile (PubChem CID 3491825) has the molecular formula C12H6N4 and a molecular weight of 206.21 g/mol. Its IUPAC name is 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile
PubChem CID3491825
Molecular FormulaC12H6N4
Molecular Weight206.21 g/mol
Exact Mass206.06
IUPAC Name6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(-c2cccc(C#N)n2)n1
InChIInChI=1S/C12H6N4/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H
InChIKeyKTYGOEZHIBSNMW-UHFFFAOYSA-N
XLogP1.89
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile (CID 3491825) is 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile is N#Cc1cccc(-c2cccc(C#N)n2)n1.
What is the InChIKey of 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile?
The InChIKey is KTYGOEZHIBSNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4/c13-7-9-3-1-5-11(15-9)12-6-2-4-10(8-14)16-12/h1-6H.
What are the key properties of 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile?
6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile has a molecular weight of 206.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyano-2-pyridinyl)pyridine-2-carbonitrile is sourced from PubChem (CID 3491825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).