2-methyl-6-(4-phenylbut-1-ynyl)pyridine

C16H15N — CID 11424570

IUPAC2-methyl-6-(4-phenylbut-1-ynyl)pyridine
SMILESCc1cccc(C#CCCc2ccccc2)n1
InChIInChI=1S/C16H15N/c1-14-8-7-13-16(17-14)12-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,13H,5,11H2,1H3
InChIKeyYWQJYKCSHSTIRB-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.37
Rot. Bonds2

About 2-methyl-6-(4-phenylbut-1-ynyl)pyridine

2-methyl-6-(4-phenylbut-1-ynyl)pyridine (PubChem CID 11424570) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylbut-1-ynyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(4-phenylbut-1-ynyl)pyridine
PubChem CID11424570
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name2-methyl-6-(4-phenylbut-1-ynyl)pyridine
SMILESCc1cccc(C#CCCc2ccccc2)n1
InChIInChI=1S/C16H15N/c1-14-8-7-13-16(17-14)12-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,13H,5,11H2,1H3
InChIKeyYWQJYKCSHSTIRB-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-6-(4-phenylbut-1-ynyl)pyridine?
The IUPAC name of 2-methyl-6-(4-phenylbut-1-ynyl)pyridine (CID 11424570) is 2-methyl-6-(4-phenylbut-1-ynyl)pyridine.
What is the SMILES notation for 2-methyl-6-(4-phenylbut-1-ynyl)pyridine?
The canonical SMILES for 2-methyl-6-(4-phenylbut-1-ynyl)pyridine is Cc1cccc(C#CCCc2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(4-phenylbut-1-ynyl)pyridine?
The InChIKey is YWQJYKCSHSTIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-14-8-7-13-16(17-14)12-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,13H,5,11H2,1H3.
What are the key properties of 2-methyl-6-(4-phenylbut-1-ynyl)pyridine?
2-methyl-6-(4-phenylbut-1-ynyl)pyridine has a molecular weight of 221.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-phenylbut-1-ynyl)pyridine is sourced from PubChem (CID 11424570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).