5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane

C23H22ClF4NO — CID 158999481

About 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane

5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane (PubChem CID 158999481) has the molecular formula C23H22ClF4NO and a molecular weight of 439.88 g/mol. Its IUPAC name is 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

• Compound Name: 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
• PubChem CID: 158999481
• Molecular Formula: C23H22ClF4NO
• Molecular Weight: 439.88 g/mol
• Exact Mass: 439.13
• IUPAC Name: 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
• SMILES: C=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(OC)cc2F)N1CC(F)F.CC
• InChI: InChI=1S/C21H16ClF4NO.C2H6/c1-12-16(22)10-15(13-6-4-3-5-7-13)21(27(12)11-19(25)26)20-17(23)8-14(28-2)9-18(20)24;1-2/h3-10,19H,1,11H2,2H3;1-2H3
• InChIKey: JRDYWZVFCMZCDI-UHFFFAOYSA-N
• XLogP: 7.09
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.88
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane?

The IUPAC name of 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane (CID 158999481) is 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane.

What is the SMILES notation for 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane?

The canonical SMILES for 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane is C=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(OC)cc2F)N1CC(F)F.CC.

What is the InChIKey of 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane?

The InChIKey is JRDYWZVFCMZCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF4NO.C2H6/c1-12-16(22)10-15(13-6-4-3-5-7-13)21(27(12)11-19(25)26)20-17(23)8-14(28-2)9-18(20)24;1-2/h3-10,19H,1,11H2,2H3;1-2H3.

What are the key properties of 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane?

5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 439.88 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 158999481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).