6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile

C17H9N3 — CID 71563215

IUPAC6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(C#Cc2ccc3ccccc3n2)n1
InChIInChI=1S/C17H9N3/c18-12-16-6-3-5-14(19-16)10-11-15-9-8-13-4-1-2-7-17(13)20-15/h1-9H
InChIKeySAXYXSCAJSSRCR-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.90
Rot. Bonds

About 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile

6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile (PubChem CID 71563215) has the molecular formula C17H9N3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile
PubChem CID71563215
Molecular FormulaC17H9N3
Molecular Weight255.28 g/mol
Exact Mass255.08
IUPAC Name6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile
SMILESN#Cc1cccc(C#Cc2ccc3ccccc3n2)n1
InChIInChI=1S/C17H9N3/c18-12-16-6-3-5-14(19-16)10-11-15-9-8-13-4-1-2-7-17(13)20-15/h1-9H
InChIKeySAXYXSCAJSSRCR-UHFFFAOYSA-N
XLogP2.90
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile (CID 71563215) is 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile is N#Cc1cccc(C#Cc2ccc3ccccc3n2)n1.
What is the InChIKey of 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile?
The InChIKey is SAXYXSCAJSSRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9N3/c18-12-16-6-3-5-14(19-16)10-11-15-9-8-13-4-1-2-7-17(13)20-15/h1-9H.
What are the key properties of 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile?
6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile has a molecular weight of 255.28 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-quinolin-2-ylethynyl)pyridine-2-carbonitrile is sourced from PubChem (CID 71563215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).