2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine

C14H8N2 — CID 10798229

IUPAC2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine
SMILESC#Cc1cccc(-c2cccc(C#C)n2)n1
InChIInChI=1S/C14H8N2/c1-3-11-7-5-9-13(15-11)14-10-6-8-12(4-2)16-14/h1-2,5-10H
InChIKeyTVPOVKRNRYCPCX-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.11
Rot. Bonds1

About 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine

2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine (PubChem CID 10798229) has the molecular formula C14H8N2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine
PubChem CID10798229
Molecular FormulaC14H8N2
Molecular Weight204.23 g/mol
Exact Mass204.07
IUPAC Name2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine
SMILESC#Cc1cccc(-c2cccc(C#C)n2)n1
InChIInChI=1S/C14H8N2/c1-3-11-7-5-9-13(15-11)14-10-6-8-12(4-2)16-14/h1-2,5-10H
InChIKeyTVPOVKRNRYCPCX-UHFFFAOYSA-N
XLogP2.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine?
The IUPAC name of 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine (CID 10798229) is 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine?
The canonical SMILES for 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine is C#Cc1cccc(-c2cccc(C#C)n2)n1.
What is the InChIKey of 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine?
The InChIKey is TVPOVKRNRYCPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2/c1-3-11-7-5-9-13(15-11)14-10-6-8-12(4-2)16-14/h1-2,5-10H.
What are the key properties of 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine?
2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine has a molecular weight of 204.23 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-6-(6-ethynyl-2-pyridinyl)pyridine is sourced from PubChem (CID 10798229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).