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

C21H21BrFN — CID 162135829

IUPAC2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cccc2Br)N1C.CC
InChIInChI=1S/C19H15BrFN.C2H6/c1-13-11-12-15(14-7-4-3-5-8-14)19(22(13)2)18-16(20)9-6-10-17(18)21;1-2/h3-12H,1H2,2H3;1-2H3
InChIKeyZJGPWCOUOKWJTD-UHFFFAOYSA-N
MW386.31 g/mol
LogP6.50
Rot. Bonds2

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

2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane (PubChem CID 162135829) has the molecular formula C21H21BrFN and a molecular weight of 386.31 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane
PubChem CID162135829
Molecular FormulaC21H21BrFN
Molecular Weight386.31 g/mol
Exact Mass385.08
IUPAC Name2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C=CC(c2ccccc2)=C(c2c(F)cccc2Br)N1C.CC
InChIInChI=1S/C19H15BrFN.C2H6/c1-13-11-12-15(14-7-4-3-5-8-14)19(22(13)2)18-16(20)9-6-10-17(18)21;1-2/h3-12H,1H2,2H3;1-2H3
InChIKeyZJGPWCOUOKWJTD-UHFFFAOYSA-N
XLogP6.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 56.50
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-(3,5-difluoro-4-pyridinyl)-1-methyl-6-methylidene-3-phenylpyridine
CID 158332776
2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162109193
1-(2,2-difluoroethyl)-2-(2,6-difluorophenyl)-6-methylidene-3-phenylpyridine;ethane
CID 161091403
5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 160569676
1,3-dimethyl-6-methylidene-2-phenylpyridine
CID 161180948
2-(2-bromo-4,6-difluorophenyl)-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine
CID 158261763
2-(4-bromo-2,6-difluorophenyl)-5-fluoro-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 158990261
2-(2,6-difluoro-4-methylphenyl)-1-ethyl-6-methylidene-3-phenylpyridine
CID 162039035
2-(4-bromo-2,6-difluorophenyl)-5-chloro-1-methyl-6-methylidene-3-phenylpyridine
CID 158173923
1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane
CID 159258863
6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane
CID 162047601
1-bromo-2-fluorobenzene;ethane
CID 91109851

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane?
The IUPAC name of 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane (CID 162135829) is 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane.
What is the SMILES notation for 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane?
The canonical SMILES for 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane is C=C1C=CC(c2ccccc2)=C(c2c(F)cccc2Br)N1C.CC.
What is the InChIKey of 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane?
The InChIKey is ZJGPWCOUOKWJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN.C2H6/c1-13-11-12-15(14-7-4-3-5-8-14)19(22(13)2)18-16(20)9-6-10-17(18)21;1-2/h3-12H,1H2,2H3;1-2H3.
What are the key properties of 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane?
2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 386.31 g/mol, XLogP of 6.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 162135829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).