2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine

C22H25ClFN — CID 54458335

IUPAC2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine
SMILESCC=CC1CCC(CCc2ccc(-c3ccc(F)c(Cl)c3)nc2)CC1
InChIInChI=1S/C22H25ClFN/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-13-22(25-15-18)19-11-12-21(24)20(23)14-19/h2-3,10-17H,4-9H2,1H3
InChIKeyWZUJNCBHUQFWEM-UHFFFAOYSA-N
MW357.90 g/mol
LogP6.86
Rot. Bonds5

About 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine

2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine (PubChem CID 54458335) has the molecular formula C22H25ClFN and a molecular weight of 357.90 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine
PubChem CID54458335
Molecular FormulaC22H25ClFN
Molecular Weight357.90 g/mol
Exact Mass357.17
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine
SMILESCC=CC1CCC(CCc2ccc(-c3ccc(F)c(Cl)c3)nc2)CC1
InChIInChI=1S/C22H25ClFN/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-13-22(25-15-18)19-11-12-21(24)20(23)14-19/h2-3,10-17H,4-9H2,1H3
InChIKeyWZUJNCBHUQFWEM-UHFFFAOYSA-N
XLogP6.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.90
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine (CID 54458335) is 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine is CC=CC1CCC(CCc2ccc(-c3ccc(F)c(Cl)c3)nc2)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine?
The InChIKey is WZUJNCBHUQFWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-13-22(25-15-18)19-11-12-21(24)20(23)14-19/h2-3,10-17H,4-9H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine?
2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine has a molecular weight of 357.90 g/mol, XLogP of 6.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethyl]pyridine is sourced from PubChem (CID 54458335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).