2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine

C24H25ClFN — CID 19386307

IUPAC2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine
SMILESCCC/C=C/C1CCC(C#Cc2ccc(-c3ccc(Cl)c(F)c3)nc2)CC1
InChIInChI=1S/C24H25ClFN/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-15-24(27-17-20)21-13-14-22(25)23(26)16-21/h4-5,12-19H,2-3,6-9H2,1H3/b5-4+
InChIKeyLAKLSXGQMVSVDG-SNAWJCMRSA-N
MW381.92 g/mol
LogP7.06
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine

2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine (PubChem CID 19386307) has the molecular formula C24H25ClFN and a molecular weight of 381.92 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine
PubChem CID19386307
Molecular FormulaC24H25ClFN
Molecular Weight381.92 g/mol
Exact Mass381.17
IUPAC Name2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine
SMILESCCC/C=C/C1CCC(C#Cc2ccc(-c3ccc(Cl)c(F)c3)nc2)CC1
InChIInChI=1S/C24H25ClFN/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-15-24(27-17-20)21-13-14-22(25)23(26)16-21/h4-5,12-19H,2-3,6-9H2,1H3/b5-4+
InChIKeyLAKLSXGQMVSVDG-SNAWJCMRSA-N
XLogP7.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.92
LogP ≤ 57.06
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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Related Compounds

2-(4-chloro-3-fluorophenyl)-5-[2-(4-ethenylcyclohexyl)ethynyl]pyridine
CID 19386236
4-[4-[2-(4-but-1-enylcyclohexyl)ethynyl]phenyl]-1-chloro-2-fluorobenzene
CID 54507419
2-(4-chloro-3-fluorophenyl)-5-[2-(4-prop-1-enylcyclohexyl)ethynyl]pyrimidine
CID 54187770
2-(3,4-difluorophenyl)-5-(4-pent-1-enylcyclohexyl)pyridine
CID 67823755
2-(3,4-difluorophenyl)-5-[4-[(E)-pent-1-enyl]cyclohexyl]pyridine
CID 19094928
5-[2-(4-ethenylcyclohexyl)ethynyl]-2-(4-fluorophenyl)pyridine
CID 19386412
2-(4-fluorophenyl)-5-[2-(4-hexylcyclohexyl)ethynyl]pyridine
CID 19386310
1-chloro-2-fluoro-4-[4-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 19094990
1-chloro-2-fluoro-4-[4-[2-(4-pent-4-enylcyclohexyl)ethynyl]phenyl]benzene
CID 19386284
2-(4-chloro-3-fluorophenyl)-7-[(E)-pent-1-enyl]-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 22045322
1-chloro-4-[4-[2-(4-prop-1-enylcyclohexyl)ethynyl]phenyl]benzene
CID 54513787
2-(4-chloro-3-fluorophenyl)-5-ethenylpyridine
CID 175646934

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine (CID 19386307) is 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine is CCC/C=C/C1CCC(C#Cc2ccc(-c3ccc(Cl)c(F)c3)nc2)CC1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine?
The InChIKey is LAKLSXGQMVSVDG-SNAWJCMRSA-N. The full InChI is InChI=1S/C24H25ClFN/c1-2-3-4-5-18-6-8-19(9-7-18)10-11-20-12-15-24(27-17-20)21-13-14-22(25)23(26)16-21/h4-5,12-19H,2-3,6-9H2,1H3/b5-4+.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine?
2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine has a molecular weight of 381.92 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-5-[2-[4-[(E)-pent-1-enyl]cyclohexyl]ethynyl]pyridine is sourced from PubChem (CID 19386307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).