5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine

C21H20FN — CID 19386412

IUPAC5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine
SMILESC=CC1CCC(C#Cc2ccc(-c3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C21H20FN/c1-2-16-3-5-17(6-4-16)7-8-18-9-14-21(23-15-18)19-10-12-20(22)13-11-19/h2,9-17H,1,3-6H2
InChIKeyAQAYORHYRCJARC-UHFFFAOYSA-N
MW305.40 g/mol
LogP5.23
Rot. Bonds2

About 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine

5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine (PubChem CID 19386412) has the molecular formula C21H20FN and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine
PubChem CID19386412
Molecular FormulaC21H20FN
Molecular Weight305.40 g/mol
Exact Mass305.16
IUPAC Name5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine
SMILESC=CC1CCC(C#Cc2ccc(-c3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C21H20FN/c1-2-16-3-5-17(6-4-16)7-8-18-9-14-21(23-15-18)19-10-12-20(22)13-11-19/h2,9-17H,1,3-6H2
InChIKeyAQAYORHYRCJARC-UHFFFAOYSA-N
XLogP5.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine?
The IUPAC name of 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine (CID 19386412) is 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine.
What is the SMILES notation for 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine?
The canonical SMILES for 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine is C=CC1CCC(C#Cc2ccc(-c3ccc(F)cc3)nc2)CC1.
What is the InChIKey of 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine?
The InChIKey is AQAYORHYRCJARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN/c1-2-16-3-5-17(6-4-16)7-8-18-9-14-21(23-15-18)19-10-12-20(22)13-11-19/h2,9-17H,1,3-6H2.
What are the key properties of 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine?
5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine has a molecular weight of 305.40 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine is sourced from PubChem (CID 19386412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).