2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane

C22H22BrF2N — CID 159359800

IUPAC2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(C)=CC(c2ccccc2)=C(c2c(F)cc(Br)cc2F)N1C.CC
InChIInChI=1S/C20H16BrF2N.C2H6/c1-12-9-16(14-7-5-4-6-8-14)20(24(3)13(12)2)19-17(22)10-15(21)11-18(19)23;1-2/h4-11H,2H2,1,3H3;1-2H3
InChIKeyLIJSUXFRVSRTQR-UHFFFAOYSA-N
MW418.33 g/mol
LogP7.03
Rot. Bonds2

About 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane

2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane (PubChem CID 159359800) has the molecular formula C22H22BrF2N and a molecular weight of 418.33 g/mol. Its IUPAC name is 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

Compound Name2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane
PubChem CID159359800
Molecular FormulaC22H22BrF2N
Molecular Weight418.33 g/mol
Exact Mass417.09
IUPAC Name2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(C)=CC(c2ccccc2)=C(c2c(F)cc(Br)cc2F)N1C.CC
InChIInChI=1S/C20H16BrF2N.C2H6/c1-12-9-16(14-7-5-4-6-8-14)20(24(3)13(12)2)19-17(22)10-15(21)11-18(19)23;1-2/h4-11H,2H2,1,3H3;1-2H3
InChIKeyLIJSUXFRVSRTQR-UHFFFAOYSA-N
XLogP7.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 57.03
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

2-(4-bromo-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 158990261
2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine
CID 158173923
2-(4-chloro-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine
CID 158300340
1-(2,2-difluoroethyl)-2-(3,5-difluoro-4-pyridinyl)-5-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162187456
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161271844
5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 158063386
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;ethane
CID 162140911
2-(2-chloro-6-fluorophenyl)-1-ethyl-5-methyl-6-methylidene-3-phenylpyridine
CID 158106515
5-chloro-2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162140912
5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 160569676
2-(2-fluorophenyl)-5-iodo-1-methyl-6-methylidene-3-phenylpyridine
CID 161006549

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane?
The IUPAC name of 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane (CID 159359800) is 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane.
What is the SMILES notation for 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane?
The canonical SMILES for 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane is C=C1C(C)=CC(c2ccccc2)=C(c2c(F)cc(Br)cc2F)N1C.CC.
What is the InChIKey of 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane?
The InChIKey is LIJSUXFRVSRTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrF2N.C2H6/c1-12-9-16(14-7-5-4-6-8-14)20(24(3)13(12)2)19-17(22)10-15(21)11-18(19)23;1-2/h4-11H,2H2,1,3H3;1-2H3.
What are the key properties of 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane?
2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 418.33 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2,6-difluorophenyl)-1,5-dimethyl-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 159359800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).