1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C109H142B3Br3Cl4N16O17 — CID 167647951

About 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 167647951) has the molecular formula C109H142B3Br3Cl4N16O17 and a molecular weight of 2362.39 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 167647951
• Molecular Formula: C109H142B3Br3Cl4N16O17
• Molecular Weight: 2362.39 g/mol
• Exact Mass: 2356.73
• IUPAC Name: 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(N)ncc1Br.Cc1cc(N)ncc1Cc1cccc(Cl)c1.Cc1cc(NC(=O)C2=NN(C)C(=O)CC2)ncc1Cc1cccc(Cl)c1.Cc1cc(NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1.Cc1cc(NC(=O)OC(C)(C)C)ncc1Br.Cc1cc(NC(=O)OC(C)(C)C)ncc1Cc1cccc(Cl)c1.Clc1cccc(CBr)c1.[H]/N=C(\CCC(=O)NC)C(=O)O
• InChI: InChI=1S/C19H19ClN4O2.C18H21ClN2O2.C17H27BN2O4.C13H13ClN2.C12H24B2O4.C11H15BrN2O2.C7H6BrCl.C6H7BrN2.C6H10N2O3/c1-12-8-17(22-19(26)16-6-7-18(25)24(2)23-16)21-11-14(12)9-13-4-3-5-15(20)10-13;1-12-8-16(21-17(22)23-18(2,3)4)20-11-14(12)9-13-6-5-7-15(19)10-13;1-11-9-13(20-14(21)22-15(2,3)4)19-10-12(11)18-23-16(5,6)17(7,8)24-18;1-9-5-13(15)16-8-11(9)6-10-3-2-4-12(14)7-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-5-9(13-6-8(7)12)14-10(15)16-11(2,3)4;8-5-6-2-1-3-7(9)4-6;1-4-2-6(8)9-3-5(4)7;1-8-5(9)3-2-4(7)6(10)11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,21,22,26);5-8,10-11H,9H2,1-4H3,(H,20,21,22);9-10H,1-8H3,(H,19,20,21);2-5,7-8H,6H2,1H3,(H2,15,16);1-8H3;5-6H,1-4H3,(H,13,14,15);1-4H,5H2;2-3H,1H3,(H2,8,9);7H,2-3H2,1H3,(H,8,9)(H,10,11)/b;;;;;;;;7-4+
• InChIKey: QDQBQYDHCHIFIK-OYVNVTHASA-N
• XLogP: 24.75
• TPSA: 451.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2362.39
LogP ≤ 5	24.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 167647951) is 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(N)ncc1Br.Cc1cc(N)ncc1Cc1cccc(Cl)c1.Cc1cc(NC(=O)C2=NN(C)C(=O)CC2)ncc1Cc1cccc(Cl)c1.Cc1cc(NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1.Cc1cc(NC(=O)OC(C)(C)C)ncc1Br.Cc1cc(NC(=O)OC(C)(C)C)ncc1Cc1cccc(Cl)c1.Clc1cccc(CBr)c1.[H]/N=C(\CCC(=O)NC)C(=O)O.

What is the InChIKey of 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is QDQBQYDHCHIFIK-OYVNVTHASA-N. The full InChI is InChI=1S/C19H19ClN4O2.C18H21ClN2O2.C17H27BN2O4.C13H13ClN2.C12H24B2O4.C11H15BrN2O2.C7H6BrCl.C6H7BrN2.C6H10N2O3/c1-12-8-17(22-19(26)16-6-7-18(25)24(2)23-16)21-11-14(12)9-13-4-3-5-15(20)10-13;1-12-8-16(21-17(22)23-18(2,3)4)20-11-14(12)9-13-6-5-7-15(19)10-13;1-11-9-13(20-14(21)22-15(2,3)4)19-10-12(11)18-23-16(5,6)17(7,8)24-18;1-9-5-13(15)16-8-11(9)6-10-3-2-4-12(14)7-10;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-7-5-9(13-6-8(7)12)14-10(15)16-11(2,3)4;8-5-6-2-1-3-7(9)4-6;1-4-2-6(8)9-3-5(4)7;1-8-5(9)3-2-4(7)6(10)11/h3-5,8,10-11H,6-7,9H2,1-2H3,(H,21,22,26);5-8,10-11H,9H2,1-4H3,(H,20,21,22);9-10H,1-8H3,(H,19,20,21);2-5,7-8H,6H2,1H3,(H2,15,16);1-8H3;5-6H,1-4H3,(H,13,14,15);1-4H,5H2;2-3H,1H3,(H2,8,9);7H,2-3H2,1H3,(H,8,9)(H,10,11)/b;;;;;;;;7-4+.

What are the key properties of 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2362.39 g/mol, XLogP of 24.75, 18 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(bromomethyl)-3-chlorobenzene;5-bromo-4-methylpyridin-2-amine;tert-butyl N-(5-bromo-4-methyl-2-pyridinyl)carbamate;tert-butyl N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate;5-[(3-chlorophenyl)methyl]-4-methylpyridin-2-amine;N-[5-[(3-chlorophenyl)methyl]-4-methyl-2-pyridinyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide;2-imino-5-(methylamino)-5-oxopentanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 167647951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).