2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine

C28H20F5NO — CID 20621880

IUPAC2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine
SMILESC=CCc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)cc2F)nc1
InChIInChI=1S/C28H20F5NO/c1-3-5-16-6-12-23(34-15-16)21-8-7-17(14-22(21)29)18-9-10-19(26(31)25(18)30)20-11-13-24(35-4-2)28(33)27(20)32/h3,6-15H,1,4-5H2,2H3
InChIKeyKSUURECFKBKVMF-UHFFFAOYSA-N
MW481.46 g/mol
LogP7.91
Rot. Bonds7

About 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine

2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine (PubChem CID 20621880) has the molecular formula C28H20F5NO and a molecular weight of 481.46 g/mol. Its IUPAC name is 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine.

Molecular Properties

Compound Name2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine
PubChem CID20621880
Molecular FormulaC28H20F5NO
Molecular Weight481.46 g/mol
Exact Mass481.15
IUPAC Name2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine
SMILESC=CCc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)cc2F)nc1
InChIInChI=1S/C28H20F5NO/c1-3-5-16-6-12-23(34-15-16)21-8-7-17(14-22(21)29)18-9-10-19(26(31)25(18)30)20-11-13-24(35-4-2)28(33)27(20)32/h3,6-15H,1,4-5H2,2H3
InChIKeyKSUURECFKBKVMF-UHFFFAOYSA-N
XLogP7.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.46
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Bisacodyl
CID 2391
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
6-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033731
US10155760, Example 126
CID 118419759
US10155760, Example 45
CID 118419778
US10155760, Example 37
CID 118420200
US10155760, Example 43
CID 118420203
US10155760, Example 50
CID 118429668
US10155760, Example 44
CID 118429748
US10155760, Example 35
CID 118429827

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine?
The IUPAC name of 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine (CID 20621880) is 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine.
What is the SMILES notation for 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine?
The canonical SMILES for 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine is C=CCc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)cc2F)nc1.
What is the InChIKey of 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine?
The InChIKey is KSUURECFKBKVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F5NO/c1-3-5-16-6-12-23(34-15-16)21-8-7-17(14-22(21)29)18-9-10-19(26(31)25(18)30)20-11-13-24(35-4-2)28(33)27(20)32/h3,6-15H,1,4-5H2,2H3.
What are the key properties of 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine?
2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine has a molecular weight of 481.46 g/mol, XLogP of 7.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-fluorophenyl]-5-prop-2-enylpyridine is sourced from PubChem (CID 20621880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).