2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine

C14H12N2 — CID 18763105

IUPAC2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine
SMILESCc1ccc(C#Cc2cccc(C)n2)cn1
InChIInChI=1S/C14H12N2/c1-11-6-7-13(10-15-11)8-9-14-5-3-4-12(2)16-14/h3-7,10H,1-2H3
InChIKeyXKZSEEFYCJSIJU-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.49
Rot. Bonds

About 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine

2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine (PubChem CID 18763105) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine
PubChem CID18763105
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine
SMILESCc1ccc(C#Cc2cccc(C)n2)cn1
InChIInChI=1S/C14H12N2/c1-11-6-7-13(10-15-11)8-9-14-5-3-4-12(2)16-14/h3-7,10H,1-2H3
InChIKeyXKZSEEFYCJSIJU-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.49
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-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine?
The IUPAC name of 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine (CID 18763105) is 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine.
What is the SMILES notation for 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine?
The canonical SMILES for 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine is Cc1ccc(C#Cc2cccc(C)n2)cn1.
What is the InChIKey of 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine?
The InChIKey is XKZSEEFYCJSIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11-6-7-13(10-15-11)8-9-14-5-3-4-12(2)16-14/h3-7,10H,1-2H3.
What are the key properties of 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine?
2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine has a molecular weight of 208.26 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(6-methyl-2-pyridinyl)ethynyl]pyridine is sourced from PubChem (CID 18763105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).