5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane

C22H22Br2FN — CID 160569676

IUPAC5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cccc2Br)N1CC.CC
InChIInChI=1S/C20H16Br2FN.C2H6/c1-3-24-13(2)17(22)12-15(14-8-5-4-6-9-14)20(24)19-16(21)10-7-11-18(19)23;1-2/h4-12H,2-3H2,1H3;1-2H3
InChIKeyRAJNFTRWVKDBMX-UHFFFAOYSA-N
MW479.23 g/mol
LogP7.61
Rot. Bonds3

About 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane

5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane (PubChem CID 160569676) has the molecular formula C22H22Br2FN and a molecular weight of 479.23 g/mol. Its IUPAC name is 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

Compound Name5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
PubChem CID160569676
Molecular FormulaC22H22Br2FN
Molecular Weight479.23 g/mol
Exact Mass477.01
IUPAC Name5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cccc2Br)N1CC.CC
InChIInChI=1S/C20H16Br2FN.C2H6/c1-3-24-13(2)17(22)12-15(14-8-5-4-6-9-14)20(24)19-16(21)10-7-11-18(19)23;1-2/h4-12H,2-3H2,1H3;1-2H3
InChIKeyRAJNFTRWVKDBMX-UHFFFAOYSA-N
XLogP7.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.23
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromo-2-(3,5-difluoro-4-pyridinyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 159915225
5-bromo-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-ethyl-6-methylidene-3-phenylpyridine
CID 158766166
2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
CID 158106515
ethane;1-ethyl-5-fluoro-2-(2-fluorophenyl)-6-methylidene-3-phenylpyridine
CID 158448173
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 162140911
2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162135829
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162140912
3-bromo-6-(2,6-difluorophenyl)-1-ethyl-2-methylidenepyridine
CID 161029028
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-5-iodo-6-methylidene-3-phenylpyridine;ethane
CID 157458491
2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162039035
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
CID 161091403

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane?
The IUPAC name of 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane (CID 160569676) is 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane.
What is the SMILES notation for 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane?
The canonical SMILES for 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane is C=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cccc2Br)N1CC.CC.
What is the InChIKey of 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane?
The InChIKey is RAJNFTRWVKDBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2FN.C2H6/c1-3-24-13(2)17(22)12-15(14-8-5-4-6-9-14)20(24)19-16(21)10-7-11-18(19)23;1-2/h4-12H,2-3H2,1H3;1-2H3.
What are the key properties of 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane?
5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 479.23 g/mol, XLogP of 7.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 160569676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).