5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine

C22H18BrF4NO — CID 158766166

IUPAC5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)F)cc2F)N1CC
InChIInChI=1S/C22H18BrF4NO/c1-3-28-13(2)17(23)11-16(14-7-5-4-6-8-14)22(28)21-18(24)9-15(10-19(21)25)29-12-20(26)27/h4-11,20H,2-3,12H2,1H3
InChIKeyIAKLNPVOONEMGY-UHFFFAOYSA-N
MW468.29 g/mol
LogP6.61
Rot. Bonds6

About 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine

5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine (PubChem CID 158766166) has the molecular formula C22H18BrF4NO and a molecular weight of 468.29 g/mol. Its IUPAC name is 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine.

Molecular Properties

Compound Name5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
PubChem CID158766166
Molecular FormulaC22H18BrF4NO
Molecular Weight468.29 g/mol
Exact Mass467.05
IUPAC Name5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
SMILESC=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)F)cc2F)N1CC
InChIInChI=1S/C22H18BrF4NO/c1-3-28-13(2)17(23)11-16(14-7-5-4-6-8-14)22(28)21-18(24)9-15(10-19(21)25)29-12-20(26)27/h4-11,20H,2-3,12H2,1H3
InChIKeyIAKLNPVOONEMGY-UHFFFAOYSA-N
XLogP6.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.29
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 158063386
5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
CID 160904167
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161271844
5-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 159915225
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162109193
1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-5-fluoro-6-methylidene-3-phenylpyridine
CID 161274694
5-chloro-1-(2,2-difluoroethyl)-2-(2,6-difluoro-4-methoxyphenyl)-6-methylidene-3-phenylpyridine;ethane
CID 158999481
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 162140911
1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane
CID 159258863
2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162039035
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 157458491
2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
CID 158106515

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine?
The IUPAC name of 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine (CID 158766166) is 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine.
What is the SMILES notation for 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine?
The canonical SMILES for 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine is C=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)F)cc2F)N1CC.
What is the InChIKey of 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine?
The InChIKey is IAKLNPVOONEMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrF4NO/c1-3-28-13(2)17(23)11-16(14-7-5-4-6-8-14)22(28)21-18(24)9-15(10-19(21)25)29-12-20(26)27/h4-11,20H,2-3,12H2,1H3.
What are the key properties of 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine?
5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine has a molecular weight of 468.29 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine is sourced from PubChem (CID 158766166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).