6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile

C15H12N2 — CID 22176445

IUPAC6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile
SMILESCc1ccc(/C=C/c2cccc(C#N)n2)cc1
InChIInChI=1S/C15H12N2/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-16)17-14/h2-10H,1H3/b10-9+
InChIKeyNIENSBMFUDXTJJ-MDZDMXLPSA-N
MW220.27 g/mol
LogP3.43
Rot. Bonds2

About 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile

6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile (PubChem CID 22176445) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile
PubChem CID22176445
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile
SMILESCc1ccc(/C=C/c2cccc(C#N)n2)cc1
InChIInChI=1S/C15H12N2/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-16)17-14/h2-10H,1H3/b10-9+
InChIKeyNIENSBMFUDXTJJ-MDZDMXLPSA-N
XLogP3.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile (CID 22176445) is 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile is Cc1ccc(/C=C/c2cccc(C#N)n2)cc1.
What is the InChIKey of 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile?
The InChIKey is NIENSBMFUDXTJJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H12N2/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-16)17-14/h2-10H,1H3/b10-9+.
What are the key properties of 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile?
6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-methylphenyl)ethenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 22176445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).