5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine

C22H23ClFNO — CID 89077030

IUPAC5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine
SMILESCCCC1CC=C(c2ccc(-c3ccc(C4CO4)c(F)c3Cl)cn2)CC1
InChIInChI=1S/C22H23ClFNO/c1-2-3-14-4-6-15(7-5-14)19-11-8-16(12-25-19)17-9-10-18(20-13-26-20)22(24)21(17)23/h6,8-12,14,20H,2-5,7,13H2,1H3
InChIKeyWOHVHYDKOOHSFE-UHFFFAOYSA-N
MW371.88 g/mol
LogP6.60
Rot. Bonds5

About 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine

5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine (PubChem CID 89077030) has the molecular formula C22H23ClFNO and a molecular weight of 371.88 g/mol. Its IUPAC name is 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine.

Molecular Properties

Compound Name5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine
PubChem CID89077030
Molecular FormulaC22H23ClFNO
Molecular Weight371.88 g/mol
Exact Mass371.15
IUPAC Name5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine
SMILESCCCC1CC=C(c2ccc(-c3ccc(C4CO4)c(F)c3Cl)cn2)CC1
InChIInChI=1S/C22H23ClFNO/c1-2-3-14-4-6-15(7-5-14)19-11-8-16(12-25-19)17-9-10-18(20-13-26-20)22(24)21(17)23/h6,8-12,14,20H,2-5,7,13H2,1H3
InChIKeyWOHVHYDKOOHSFE-UHFFFAOYSA-N
XLogP6.60
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.88
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(3-chloro-4-ethoxy-2-fluorophenyl)-2-(4-propylcyclohexen-1-yl)pyridine
CID 59257202
2-[3-chloro-2-fluoro-4-[4-[[4-(4-propylcyclohexyl)phenoxy]methyl]cyclohexen-1-yl]phenyl]oxirane
CID 89077064
2-chloro-1-ethoxy-3-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 59257225
2-[4-[3-chloro-2-fluoro-4-(oxiran-2-yl)phenyl]cyclohex-3-en-1-yl]-5-propyloxane
CID 89077083
2-[3-chloro-2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]oxirane
CID 89145644
2-chloro-3-fluoro-1-propyl-4-(4-propylcyclohexen-1-yl)benzene
CID 59257313
1-[4-[4-[2-[4-[4-[2,3-difluoro-4-(oxiran-2-yl)phenyl]-2,3-difluorophenyl]cyclohexyl]ethyl]cyclohexen-1-yl]-2,3-difluorophenyl]butan-1-ol
CID 88893864
2-chloro-5-(4-propylcyclohexen-1-yl)pyridine;[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]boronic acid;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-propylcyclohexen-1-yl)pyridine
CID 160978467
1-butyl-3-chloro-2-fluoro-4-[4-[4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]benzene
CID 59257363
2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
CID 59257271
2-[4-[4-[4-(4-but-3-enylcyclohexen-1-yl)-3-fluorophenyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88571641
5-[2-chloro-3-fluoro-4-[4-(5-methyloxan-2-yl)cyclohexen-1-yl]phenyl]-2-ethoxypyridine
CID 59257074

Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine?
The IUPAC name of 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine (CID 89077030) is 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine.
What is the SMILES notation for 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine?
The canonical SMILES for 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine is CCCC1CC=C(c2ccc(-c3ccc(C4CO4)c(F)c3Cl)cn2)CC1.
What is the InChIKey of 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine?
The InChIKey is WOHVHYDKOOHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFNO/c1-2-3-14-4-6-15(7-5-14)19-11-8-16(12-25-19)17-9-10-18(20-13-26-20)22(24)21(17)23/h6,8-12,14,20H,2-5,7,13H2,1H3.
What are the key properties of 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine?
5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine has a molecular weight of 371.88 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-3-fluoro-4-(oxiran-2-yl)phenyl]-2-(4-propylcyclohexen-1-yl)pyridine is sourced from PubChem (CID 89077030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).