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

C77H72BBr2Cl3N10O5 — CID 162258165

IUPAC2-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
SMILESC1COCCN1.Clc1ccc(-c2cn3cc(-c4ccccc4)ccc3n2)cc1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.Nc1ccc(-c2ccccc2)cn1.Nc1ccc(Br)cn1.O=C(CBr)c1ccc(Cl)cc1.OB(O)c1ccccc1
InChIInChI=1S/C24H22ClN3O.C19H13ClN2.C11H10N2.C8H6BrClO.C6H7BO2.C5H5BrN2.C4H9NO/c25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;20-17-9-6-15(7-10-17)18-13-22-12-16(8-11-19(22)21-18)14-4-2-1-3-5-14;12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;9-5-8(11)6-1-3-7(10)4-2-6;8-7(9)6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4;1-3-6-4-2-5-1/h1-11,16H,12-15,17H2;1-13H;1-8H,(H2,12,13);1-4H,5H2;1-5,8-9H;1-3H,(H2,7,8);5H,1-4H2
InChIKeyZYWIGAMQHXUQQN-UHFFFAOYSA-N
MW1494.47 g/mol
LogP16.12
Rot. Bonds10

About 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

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 (PubChem CID 162258165) has the molecular formula C77H72BBr2Cl3N10O5 and a molecular weight of 1494.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID162258165
Molecular FormulaC77H72BBr2Cl3N10O5
Molecular Weight1494.47 g/mol
Exact Mass1490.32
IUPAC Name2-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
SMILESC1COCCN1.Clc1ccc(-c2cn3cc(-c4ccccc4)ccc3n2)cc1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.Nc1ccc(-c2ccccc2)cn1.Nc1ccc(Br)cn1.O=C(CBr)c1ccc(Cl)cc1.OB(O)c1ccccc1
InChIInChI=1S/C24H22ClN3O.C19H13ClN2.C11H10N2.C8H6BrClO.C6H7BO2.C5H5BrN2.C4H9NO/c25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;20-17-9-6-15(7-10-17)18-13-22-12-16(8-11-19(22)21-18)14-4-2-1-3-5-14;12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;9-5-8(11)6-1-3-7(10)4-2-6;8-7(9)6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4;1-3-6-4-2-5-1/h1-11,16H,12-15,17H2;1-13H;1-8H,(H2,12,13);1-4H,5H2;1-5,8-9H;1-3H,(H2,7,8);5H,1-4H2
InChIKeyZYWIGAMQHXUQQN-UHFFFAOYSA-N
XLogP16.12
TPSA203.68 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001494.47
LogP ≤ 516.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1COCCN1.Clc1ccc(-c2cn3cc(-c4ccccc4)ccc3n2)cc1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.Nc1ccc(-c2ccccc2)cn1.Nc1ccc(Br)cn1.O=C(CBr)c1ccc(Cl)cc1.OB(O)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is ZYWIGAMQHXUQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O.C19H13ClN2.C11H10N2.C8H6BrClO.C6H7BO2.C5H5BrN2.C4H9NO/c25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;20-17-9-6-15(7-10-17)18-13-22-12-16(8-11-19(22)21-18)14-4-2-1-3-5-14;12-11-7-6-10(8-13-11)9-4-2-1-3-5-9;9-5-8(11)6-1-3-7(10)4-2-6;8-7(9)6-4-2-1-3-5-6;6-4-1-2-5(7)8-3-4;1-3-6-4-2-5-1/h1-11,16H,12-15,17H2;1-13H;1-8H,(H2,12,13);1-4H,5H2;1-5,8-9H;1-3H,(H2,7,8);5H,1-4H2.
What are the key properties of 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?
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 has a molecular weight of 1494.47 g/mol, XLogP of 16.12, 10 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162258165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).