2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C93H120B2Br3N17O4 — CID 160965458

About 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 160965458) has the molecular formula C93H120B2Br3N17O4 and a molecular weight of 1801.43 g/mol. Its IUPAC name is 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 160965458
• Molecular Formula: C93H120B2Br3N17O4
• Molecular Weight: 1801.43 g/mol
• Exact Mass: 1797.74
• IUPAC Name: 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: Brc1cccc(Br)n1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CN.CNc1cccc(-c2cn[nH]c2)n1.CNc1cccc(-c2cnn(C)c2)n1.Cn1cc(-c2cccc(Br)n2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1
• InChI: InChI=1S/C10H17BN2O2.C10H12N4.C9H15BN2O2.C9H8BrN3.C9H10N4.5C8H10.C5H3Br2N.CH5N/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-11-10-5-3-4-9(13-10)8-6-12-14(2)7-8;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;1-13-6-7(5-11-13)8-3-2-4-9(10)12-8;1-10-9-4-2-3-8(13-9)7-5-11-12-6-7;5*1-2-8-6-4-3-5-7-8;6-4-2-1-3-5(7)8-4;1-2/h6-7H,1-5H3;3-7H,1-2H3,(H,11,13);5-6H,1-4H3,(H,11,12);2-6H,1H3;2-6H,1H3,(H,10,13)(H,11,12);5*3-7H,2H2,1H3;1-3H;2H2,1H3
• InChIKey: SXOFSOPEJAZPEW-UHFFFAOYSA-N
• XLogP: 20.14
• TPSA: 249.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.43
LogP ≤ 5	20.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

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 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 160965458) is 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is Brc1cccc(Br)n1.CC1(C)OB(c2cn[nH]c2)OC1(C)C.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CCc1ccccc1.CN.CNc1cccc(-c2cn[nH]c2)n1.CNc1cccc(-c2cnn(C)c2)n1.Cn1cc(-c2cccc(Br)n2)cn1.Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1.

What is the InChIKey of 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is SXOFSOPEJAZPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2.C10H12N4.C9H15BN2O2.C9H8BrN3.C9H10N4.5C8H10.C5H3Br2N.CH5N/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8;1-11-10-5-3-4-9(13-10)8-6-12-14(2)7-8;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;1-13-6-7(5-11-13)8-3-2-4-9(10)12-8;1-10-9-4-2-3-8(13-9)7-5-11-12-6-7;5*1-2-8-6-4-3-5-7-8;6-4-2-1-3-5(7)8-4;1-2/h6-7H,1-5H3;3-7H,1-2H3,(H,11,13);5-6H,1-4H3,(H,11,12);2-6H,1H3;2-6H,1H3,(H,10,13)(H,11,12);5*3-7H,2H2,1H3;1-3H;2H2,1H3.

What are the key properties of 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 1801.43 g/mol, XLogP of 20.14, 12 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-6-(1-methylpyrazol-4-yl)pyridine;2,6-dibromopyridine;ethylbenzene;methanamine;N-methyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine;N-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 160965458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).