bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate

C79H93BBr5Cl4N9O14 — CID 158184900

About bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate

bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate (PubChem CID 158184900) has the molecular formula C79H93BBr5Cl4N9O14 and a molecular weight of 1944.81 g/mol. Its IUPAC name is bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate.

Molecular Properties

• Compound Name: bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate
• PubChem CID: 158184900
• Molecular Formula: C79H93BBr5Cl4N9O14
• Molecular Weight: 1944.81 g/mol
• Exact Mass: 1937.16
• IUPAC Name: bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate
• SMILES: CC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1Br.CC(C)(O)c1nc(Cl)ccc1Br.COC(=O)c1nc(Cl)ccc1Br.NC(=O)C1CC1.OB(O)c1ccoc1
• InChI: InChI=1S/C19H22N2O3.C15H19BrN2O2.2C11H13BrClNO.C8H9BrClNO.C7H5BrClNO2.C4H5BO3.C4H7NO/c1-12(22)10-19(2,3)17-15(14-8-9-24-11-14)6-7-16(20-17)21-18(23)13-4-5-13;1-9(19)8-15(2,3)13-11(16)6-7-12(17-13)18-14(20)10-4-5-10;2*1-7(15)6-11(2,3)10-8(12)4-5-9(13)14-10;1-8(2,12)7-5(9)3-4-6(10)11-7;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h6-9,11,13H,4-5,10H2,1-3H3,(H,20,21,23);6-7,10H,4-5,8H2,1-3H3,(H,17,18,20);2*4-5H,6H2,1-3H3;3-4,12H,1-2H3;2-3H,1H3;1-3,6-7H;3H,1-2H2,(H2,5,6)
• InChIKey: FZAISVYXJVIHHI-UHFFFAOYSA-N
• XLogP: 18.75
• TPSA: 360.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1944.81
LogP ≤ 5	18.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

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 bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate?

The IUPAC name of bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate (CID 158184900) is bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate.

What is the SMILES notation for bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate?

The canonical SMILES for bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate is CC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(Cl)ccc1Br.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1-c1ccoc1.CC(=O)CC(C)(C)c1nc(NC(=O)C2CC2)ccc1Br.CC(C)(O)c1nc(Cl)ccc1Br.COC(=O)c1nc(Cl)ccc1Br.NC(=O)C1CC1.OB(O)c1ccoc1.

What is the InChIKey of bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate?

The InChIKey is FZAISVYXJVIHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3.C15H19BrN2O2.2C11H13BrClNO.C8H9BrClNO.C7H5BrClNO2.C4H5BO3.C4H7NO/c1-12(22)10-19(2,3)17-15(14-8-9-24-11-14)6-7-16(20-17)21-18(23)13-4-5-13;1-9(19)8-15(2,3)13-11(16)6-7-12(17-13)18-14(20)10-4-5-10;2*1-7(15)6-11(2,3)10-8(12)4-5-9(13)14-10;1-8(2,12)7-5(9)3-4-6(10)11-7;1-12-7(11)6-4(8)2-3-5(9)10-6;6-5(7)4-1-2-8-3-4;5-4(6)3-1-2-3/h6-9,11,13H,4-5,10H2,1-3H3,(H,20,21,23);6-7,10H,4-5,8H2,1-3H3,(H,17,18,20);2*4-5H,6H2,1-3H3;3-4,12H,1-2H3;2-3H,1H3;1-3,6-7H;3H,1-2H2,(H2,5,6).

What are the key properties of bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate?

bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate has a molecular weight of 1944.81 g/mol, XLogP of 18.75, 21 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-(3-bromo-6-chloro-2-pyridinyl)-4-methylpentan-2-one);2-(3-bromo-6-chloro-2-pyridinyl)propan-2-ol;N-[5-bromo-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;cyclopropanecarboxamide;furan-3-ylboronic acid;N-[5-(furan-3-yl)-6-(2-methyl-4-oxopentan-2-yl)-2-pyridinyl]cyclopropanecarboxamide;methyl 3-bromo-6-chloropyridine-2-carboxylate is sourced from PubChem (CID 158184900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).