4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine

C74H92B2Br3Cl3N8O11 — CID 167609287

About 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine

4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine (PubChem CID 167609287) has the molecular formula C74H92B2Br3Cl3N8O11 and a molecular weight of 1637.29 g/mol. Its IUPAC name is 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine.

Molecular Properties

• Compound Name: 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine
• PubChem CID: 167609287
• Molecular Formula: C74H92B2Br3Cl3N8O11
• Molecular Weight: 1637.29 g/mol
• Exact Mass: 1632.37
• IUPAC Name: 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine
• SMILES: Brc1ccnc(Br)c1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CN(C)C(=O)c1ccc(-c2cc(Br)ccn2)cc1Cl.CN(C)C(=O)c1ccc(-c2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc1Cl.CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl
• InChI: InChI=1S/C24H28ClN3O3.C16H28BNO4.C15H21BClNO3.C14H12BrClN2O.C5H3Br2N/c1-24(2,3)31-23(30)28-12-9-16(10-13-28)17-8-11-26-21(15-17)18-6-7-19(20(25)14-18)22(29)27(4)5;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-14(2)15(3,4)21-16(20-14)10-7-8-11(12(17)9-10)13(19)18(5)6;1-18(2)14(19)11-4-3-9(7-12(11)16)13-8-10(15)5-6-17-13;6-4-1-2-8-5(7)3-4/h6-9,11,14-15H,10,12-13H2,1-5H3;8H,9-11H2,1-7H3;7-9H,1-6H3;3-8H,1-2H3;1-3H
• InChIKey: KUTHPYIVMJVFLD-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 195.60 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1637.29
LogP ≤ 5	17.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine?

The IUPAC name of 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine (CID 167609287) is 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine.

What is the SMILES notation for 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine?

The canonical SMILES for 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine is Brc1ccnc(Br)c1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CN(C)C(=O)c1ccc(-c2cc(Br)ccn2)cc1Cl.CN(C)C(=O)c1ccc(-c2cc(C3=CCN(C(=O)OC(C)(C)C)CC3)ccn2)cc1Cl.CN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl.

What is the InChIKey of 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine?

The InChIKey is KUTHPYIVMJVFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3.C16H28BNO4.C15H21BClNO3.C14H12BrClN2O.C5H3Br2N/c1-24(2,3)31-23(30)28-12-9-16(10-13-28)17-8-11-26-21(15-17)18-6-7-19(20(25)14-18)22(29)27(4)5;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-14(2)15(3,4)21-16(20-14)10-7-8-11(12(17)9-10)13(19)18(5)6;1-18(2)14(19)11-4-3-9(7-12(11)16)13-8-10(15)5-6-17-13;6-4-1-2-8-5(7)3-4/h6-9,11,14-15H,10,12-13H2,1-5H3;8H,9-11H2,1-7H3;7-9H,1-6H3;3-8H,1-2H3;1-3H.

What are the key properties of 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine?

4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine has a molecular weight of 1637.29 g/mol, XLogP of 17.13, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromo-2-pyridinyl)-2-chloro-N,N-dimethylbenzamide;tert-butyl 4-[2-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-chloro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;2,4-dibromopyridine is sourced from PubChem (CID 167609287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).