2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane

C79H73BBr4Cl4F2N10O6 — CID 158478755

IUPAC2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane
SMILESC1CCOCC1.Clc1ccc(-c2cn3cc(Br)ccc3n2)cc1.Clc1ccc(-c2nc3ccc(Br)cn3c2CN2CCOCC2)cc1.Fc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.Nc1ccc(Br)cn1.O=C(CBr)c1ccc(Cl)cc1.OB(O)c1ccccc1F
InChIInChI=1S/C24H21ClFN3O.C18H17BrClN3O.C13H8BrClN2.C8H6BrClO.C6H6BFO2.C5H5BrN2.C5H10O/c25-19-8-5-17(6-9-19)24-22(16-28-11-13-30-14-12-28)29-15-18(7-10-23(29)27-24)20-3-1-2-4-21(20)26;19-14-3-6-17-21-18(13-1-4-15(20)5-2-13)16(23(17)11-14)12-22-7-9-24-10-8-22;14-10-3-6-13-16-12(8-17(13)7-10)9-1-4-11(15)5-2-9;9-5-8(11)6-1-3-7(10)4-2-6;8-6-4-2-1-3-5(6)7(9)10;6-4-1-2-5(7)8-3-4;1-2-4-6-5-3-1/h1-10,15H,11-14,16H2;1-6,11H,7-10,12H2;1-8H;1-4H,5H2;1-4,9-10H;1-3H,(H2,7,8);1-5H2
InChIKeyHHGNAKZELAIIFN-UHFFFAOYSA-N
MW1768.75 g/mol
LogP19.00
Rot. Bonds11

About 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane

2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane (PubChem CID 158478755) has the molecular formula C79H73BBr4Cl4F2N10O6 and a molecular weight of 1768.75 g/mol. Its IUPAC name is 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane.

Molecular Properties

Compound Name2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane
PubChem CID158478755
Molecular FormulaC79H73BBr4Cl4F2N10O6
Molecular Weight1768.75 g/mol
Exact Mass1762.13
IUPAC Name2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane
SMILESC1CCOCC1.Clc1ccc(-c2cn3cc(Br)ccc3n2)cc1.Clc1ccc(-c2nc3ccc(Br)cn3c2CN2CCOCC2)cc1.Fc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.Nc1ccc(Br)cn1.O=C(CBr)c1ccc(Cl)cc1.OB(O)c1ccccc1F
InChIInChI=1S/C24H21ClFN3O.C18H17BrClN3O.C13H8BrClN2.C8H6BrClO.C6H6BFO2.C5H5BrN2.C5H10O/c25-19-8-5-17(6-9-19)24-22(16-28-11-13-30-14-12-28)29-15-18(7-10-23(29)27-24)20-3-1-2-4-21(20)26;19-14-3-6-17-21-18(13-1-4-15(20)5-2-13)16(23(17)11-14)12-22-7-9-24-10-8-22;14-10-3-6-13-16-12(8-17(13)7-10)9-1-4-11(15)5-2-9;9-5-8(11)6-1-3-7(10)4-2-6;8-6-4-2-1-3-5(6)7(9)10;6-4-1-2-5(7)8-3-4;1-2-4-6-5-3-1/h1-10,15H,11-14,16H2;1-6,11H,7-10,12H2;1-8H;1-4H,5H2;1-4,9-10H;1-3H,(H2,7,8);1-5H2
InChIKeyHHGNAKZELAIIFN-UHFFFAOYSA-N
XLogP19.00
TPSA182.51 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001768.75
LogP ≤ 519.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane with MolForge

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Related Compounds

2-Bromo-2-(7-bromo-1,5-naphthyridin-2-yl)-1-(5-chloro-2-fluorophenyl)ethanone;7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine;pyridin-2-amine
CID 157528873
1-(2-Amino-5-bromo-4-pyridinyl)ethanone;1-(2-amino-4-pyridinyl)ethanone;1-(6-bromoimidazo[1,2-a]pyridin-7-yl)ethanone;(2,4-dichlorophenyl)boronic acid;1-[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]ethanone;[6-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;methane
CID 158741415
2-Bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;3-[2-chloro-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;2,4-diphenyl-6-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine
CID 159583132
2-Bromo-1-phenylethanone;3-bromo-2-phenylimidazo[1,2-a]pyridine;2-chloro-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;3-[2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-phenylimidazo[1,2-a]pyridine;(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-2-phenylimidazo[1,2-a]pyridine;1-phenylethanone;2-phenylimidazo[1,2-a]pyridine;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 160753840
2-Bromo-1-(4-chlorophenyl)ethanone;5-bromopyridin-2-amine;2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridine;4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;morpholine;phenylboronic acid;5-phenylpyridin-2-amine
CID 162258165
2-Bromo-2-(4-bromophenyl)-1-phenylethanone;3-(4-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;2-phenyl-3-[4-[4-phenyl-6-[4-(2-phenyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;2-phenyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine
CID 165030424
2-Bromo-2-(3-bromophenyl)-1-phenylethanone;2-(3-bromo-5-chlorophenyl)-4,6-diphenyl-1,3,5-triazine;3-bromo-2,6-dimethylpyridine;3-(3-bromophenyl)-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-chloro-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;2-phenyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine
CID 165038191
6-Bromo-8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-3-chloropyridin-2-amine;2-bromo-1-(oxan-4-yl)ethanone;2-[8-chloro-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(difluoromethyl)-2-pyridinyl]ethanone
CID 165057361
2-Bromo-1-(4-bromophenyl)-2-phenylethanone;2-(4-bromophenyl)-3-phenylimidazo[1,2-a]pyridine;2,6-dichloro-4-phenylpyridine;methane;3-phenyl-2-[4-[4-phenyl-6-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine;3-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazo[1,2-a]pyridine;pyridin-2-amine
CID 165075354

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane?
The IUPAC name of 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane (CID 158478755) is 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane.
What is the SMILES notation for 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane?
The canonical SMILES for 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane is C1CCOCC1.Clc1ccc(-c2cn3cc(Br)ccc3n2)cc1.Clc1ccc(-c2nc3ccc(Br)cn3c2CN2CCOCC2)cc1.Fc1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.Nc1ccc(Br)cn1.O=C(CBr)c1ccc(Cl)cc1.OB(O)c1ccccc1F.
What is the InChIKey of 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane?
The InChIKey is HHGNAKZELAIIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O.C18H17BrClN3O.C13H8BrClN2.C8H6BrClO.C6H6BFO2.C5H5BrN2.C5H10O/c25-19-8-5-17(6-9-19)24-22(16-28-11-13-30-14-12-28)29-15-18(7-10-23(29)27-24)20-3-1-2-4-21(20)26;19-14-3-6-17-21-18(13-1-4-15(20)5-2-13)16(23(17)11-14)12-22-7-9-24-10-8-22;14-10-3-6-13-16-12(8-17(13)7-10)9-1-4-11(15)5-2-9;9-5-8(11)6-1-3-7(10)4-2-6;8-6-4-2-1-3-5(6)7(9)10;6-4-1-2-5(7)8-3-4;1-2-4-6-5-3-1/h1-10,15H,11-14,16H2;1-6,11H,7-10,12H2;1-8H;1-4H,5H2;1-4,9-10H;1-3H,(H2,7,8);1-5H2.
What are the key properties of 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane?
2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane has a molecular weight of 1768.75 g/mol, XLogP of 19.00, 11 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-chlorophenyl)ethanone;6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;4-[[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;5-bromopyridin-2-amine;4-[[2-(4-chlorophenyl)-6-(2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;(2-fluorophenyl)boronic acid;oxane is sourced from PubChem (CID 158478755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).