6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane

C20H20BrClFN — CID 162047601

IUPAC6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane
SMILESC=C1NC(c2c(F)cccc2Br)=C(c2ccccc2)CC1Cl.CC
InChIInChI=1S/C18H14BrClFN.C2H6/c1-11-15(20)10-13(12-6-3-2-4-7-12)18(22-11)17-14(19)8-5-9-16(17)21;1-2/h2-9,15,22H,1,10H2;1-2H3
InChIKeyYYCJKJVFDIYDBL-UHFFFAOYSA-N
MW408.74 g/mol
LogP6.60
Rot. Bonds2

About 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane

6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane (PubChem CID 162047601) has the molecular formula C20H20BrClFN and a molecular weight of 408.74 g/mol. Its IUPAC name is 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane.

Molecular Properties

Compound Name6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane
PubChem CID162047601
Molecular FormulaC20H20BrClFN
Molecular Weight408.74 g/mol
Exact Mass407.05
IUPAC Name6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane
SMILESC=C1NC(c2c(F)cccc2Br)=C(c2ccccc2)CC1Cl.CC
InChIInChI=1S/C18H14BrClFN.C2H6/c1-11-15(20)10-13(12-6-3-2-4-7-12)18(22-11)17-14(19)8-5-9-16(17)21;1-2/h2-9,15,22H,1,10H2;1-2H3
InChIKeyYYCJKJVFDIYDBL-UHFFFAOYSA-N
XLogP6.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.74
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluorophenyl)-3-methyl-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine
CID 159633874
6-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-3-iodo-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane
CID 159605104
2-(2-bromo-6-fluorophenyl)-1-methyl-6-methylidene-3-phenylpyridine;ethane
CID 162135829
5-bromo-2-(2-bromo-6-fluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
CID 160569676
1-bromo-2-fluorobenzene;ethane
CID 91109851
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
3-ethenyl-5-methyl-2-methylidene-6-phenyl-3,4-dihydro-1H-pyridine
CID 158289106
1-bromo-3-fluoro-2-(2-methoxy-4-phenylphenyl)benzene
CID 118507663
6-(2-bromo-6-fluorophenyl)-1,3-dimethyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451262
5-(2,6-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrrole
CID 142128899
6-(2-bromo-6-fluorophenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
CID 153450353
3-(2-bromo-6-fluorophenyl)-2-methylpyridine
CID 125456196

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane?
The IUPAC name of 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane (CID 162047601) is 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane.
What is the SMILES notation for 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane?
The canonical SMILES for 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane is C=C1NC(c2c(F)cccc2Br)=C(c2ccccc2)CC1Cl.CC.
What is the InChIKey of 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane?
The InChIKey is YYCJKJVFDIYDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClFN.C2H6/c1-11-15(20)10-13(12-6-3-2-4-7-12)18(22-11)17-14(19)8-5-9-16(17)21;1-2/h2-9,15,22H,1,10H2;1-2H3.
What are the key properties of 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane?
6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane has a molecular weight of 408.74 g/mol, XLogP of 6.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-6-fluorophenyl)-3-chloro-2-methylidene-5-phenyl-3,4-dihydro-1H-pyridine;ethane is sourced from PubChem (CID 162047601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).