2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine

C18H13N3 — CID 68627983

IUPAC2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine
SMILESCc1ccnc(-c2cc(C#Cc3ccncc3)ccn2)c1
InChIInChI=1S/C18H13N3/c1-14-4-10-20-17(12-14)18-13-16(7-11-21-18)3-2-15-5-8-19-9-6-15/h4-13H,1H3
InChIKeyVDFROBPHUGMHHT-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.25
Rot. Bonds1

About 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine

2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine (PubChem CID 68627983) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine.

Molecular Properties

Compound Name2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine
PubChem CID68627983
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine
SMILESCc1ccnc(-c2cc(C#Cc3ccncc3)ccn2)c1
InChIInChI=1S/C18H13N3/c1-14-4-10-20-17(12-14)18-13-16(7-11-21-18)3-2-15-5-8-19-9-6-15/h4-13H,1H3
InChIKeyVDFROBPHUGMHHT-UHFFFAOYSA-N
XLogP3.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.25
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 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine?
The IUPAC name of 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine (CID 68627983) is 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine.
What is the SMILES notation for 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine?
The canonical SMILES for 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine is Cc1ccnc(-c2cc(C#Cc3ccncc3)ccn2)c1.
What is the InChIKey of 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine?
The InChIKey is VDFROBPHUGMHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c1-14-4-10-20-17(12-14)18-13-16(7-11-21-18)3-2-15-5-8-19-9-6-15/h4-13H,1H3.
What are the key properties of 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine?
2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine has a molecular weight of 271.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-pyridinyl)-4-(2-pyridin-4-ylethynyl)pyridine is sourced from PubChem (CID 68627983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).