2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine

C24H29ClFN — CID 59257154

IUPAC2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine
SMILESCCCCCC1CC=C(c2ccc(-c3ccc(CC)c(Cl)c3F)nc2)CC1
InChIInChI=1S/C24H29ClFN/c1-3-5-6-7-17-8-10-19(11-9-17)20-13-15-22(27-16-20)21-14-12-18(4-2)23(25)24(21)26/h10,12-17H,3-9,11H2,1-2H3
InChIKeyJETZSRPMWMADMB-UHFFFAOYSA-N
MW385.95 g/mol
LogP7.87
Rot. Bonds7

About 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine

2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine (PubChem CID 59257154) has the molecular formula C24H29ClFN and a molecular weight of 385.95 g/mol. Its IUPAC name is 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine.

Molecular Properties

Compound Name2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine
PubChem CID59257154
Molecular FormulaC24H29ClFN
Molecular Weight385.95 g/mol
Exact Mass385.20
IUPAC Name2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine
SMILESCCCCCC1CC=C(c2ccc(-c3ccc(CC)c(Cl)c3F)nc2)CC1
InChIInChI=1S/C24H29ClFN/c1-3-5-6-7-17-8-10-19(11-9-17)20-13-15-22(27-16-20)21-14-12-18(4-2)23(25)24(21)26/h10,12-17H,3-9,11H2,1-2H3
InChIKeyJETZSRPMWMADMB-UHFFFAOYSA-N
XLogP7.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.95
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)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-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine?
The IUPAC name of 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine (CID 59257154) is 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine.
What is the SMILES notation for 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine?
The canonical SMILES for 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine is CCCCCC1CC=C(c2ccc(-c3ccc(CC)c(Cl)c3F)nc2)CC1.
What is the InChIKey of 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine?
The InChIKey is JETZSRPMWMADMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN/c1-3-5-6-7-17-8-10-19(11-9-17)20-13-15-22(27-16-20)21-14-12-18(4-2)23(25)24(21)26/h10,12-17H,3-9,11H2,1-2H3.
What are the key properties of 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine?
2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine has a molecular weight of 385.95 g/mol, XLogP of 7.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethyl-2-fluorophenyl)-5-(4-pentylcyclohexen-1-yl)pyridine is sourced from PubChem (CID 59257154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).