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

C17H17N — CID 11736483

IUPAC2-methyl-6-(4-phenylpent-1-ynyl)pyridine
SMILESCc1cccc(C#CCC(C)c2ccccc2)n1
InChIInChI=1S/C17H17N/c1-14(16-10-4-3-5-11-16)8-6-12-17-13-7-9-15(2)18-17/h3-5,7,9-11,13-14H,8H2,1-2H3
InChIKeyQVXDBDKPSMNGHQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.94
Rot. Bonds2

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

2-methyl-6-(4-phenylpent-1-ynyl)pyridine (PubChem CID 11736483) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-6-(4-phenylpent-1-ynyl)pyridine.

Molecular Properties

Compound Name2-methyl-6-(4-phenylpent-1-ynyl)pyridine
PubChem CID11736483
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2-methyl-6-(4-phenylpent-1-ynyl)pyridine
SMILESCc1cccc(C#CCC(C)c2ccccc2)n1
InChIInChI=1S/C17H17N/c1-14(16-10-4-3-5-11-16)8-6-12-17-13-7-9-15(2)18-17/h3-5,7,9-11,13-14H,8H2,1-2H3
InChIKeyQVXDBDKPSMNGHQ-UHFFFAOYSA-N
XLogP3.94
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.94
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-phenylpent-1-ynyl)pyridine?
The IUPAC name of 2-methyl-6-(4-phenylpent-1-ynyl)pyridine (CID 11736483) is 2-methyl-6-(4-phenylpent-1-ynyl)pyridine.
What is the SMILES notation for 2-methyl-6-(4-phenylpent-1-ynyl)pyridine?
The canonical SMILES for 2-methyl-6-(4-phenylpent-1-ynyl)pyridine is Cc1cccc(C#CCC(C)c2ccccc2)n1.
What is the InChIKey of 2-methyl-6-(4-phenylpent-1-ynyl)pyridine?
The InChIKey is QVXDBDKPSMNGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-14(16-10-4-3-5-11-16)8-6-12-17-13-7-9-15(2)18-17/h3-5,7,9-11,13-14H,8H2,1-2H3.
What are the key properties of 2-methyl-6-(4-phenylpent-1-ynyl)pyridine?
2-methyl-6-(4-phenylpent-1-ynyl)pyridine has a molecular weight of 235.33 g/mol, XLogP of 3.94, 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-phenylpent-1-ynyl)pyridine is sourced from PubChem (CID 11736483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).