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

C24H28FN — CID 19386241

IUPAC2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine
SMILESCCCCCC1CCC(C#Cc2ccc(-c3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C24H28FN/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-12-17-24(26-18-21)22-13-15-23(25)16-14-22/h12-20H,2-9H2,1H3
InChIKeyLNYIBEUKBHQPOR-UHFFFAOYSA-N
MW349.49 g/mol
LogP6.63
Rot. Bonds5

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

2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine (PubChem CID 19386241) has the molecular formula C24H28FN and a molecular weight of 349.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine
PubChem CID19386241
Molecular FormulaC24H28FN
Molecular Weight349.49 g/mol
Exact Mass349.22
IUPAC Name2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine
SMILESCCCCCC1CCC(C#Cc2ccc(-c3ccc(F)cc3)nc2)CC1
InChIInChI=1S/C24H28FN/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-12-17-24(26-18-21)22-13-15-23(25)16-14-22/h12-20H,2-9H2,1H3
InChIKeyLNYIBEUKBHQPOR-UHFFFAOYSA-N
XLogP6.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.49
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine (CID 19386241) is 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine is CCCCCC1CCC(C#Cc2ccc(-c3ccc(F)cc3)nc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine?
The InChIKey is LNYIBEUKBHQPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-21-12-17-24(26-18-21)22-13-15-23(25)16-14-22/h12-20H,2-9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine?
2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine has a molecular weight of 349.49 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-(4-pentylcyclohexyl)ethynyl]pyridine is sourced from PubChem (CID 19386241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).