3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C138H176B3Br4IN22O25 — CID 157445572

About 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157445572) has the molecular formula C138H176B3Br4IN22O25 and a molecular weight of 3022.01 g/mol. Its IUPAC name is 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;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: 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157445572
• Molecular Formula: C138H176B3Br4IN22O25
• Molecular Weight: 3022.01 g/mol
• Exact Mass: 3016.92
• IUPAC Name: 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;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.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.Cc1c(Br)cncc1NC(=O)OC(C)(C)C.Cc1c(Br)cncc1NC(=O)OC(C)(C)C.Cc1c(Br)cncc1[N+](=O)[O-].Cc1c(N)cncc1Br.Cc1c(NC(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(-c1nc3c([nH]1)CCCC3)nn2C1CCCCO1.Cc1c(NC(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(C=O)nn2C1CCCCO1.O=C1CCCCC1=O.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12
• InChI: InChI=1S/C30H36N6O3.C24H28N4O4.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.2C11H15BrN2O2.C6H5BrN2O2.C6H7BrN2.C6H8O2/c1-18-21(16-31-17-24(18)34-29(37)39-30(2,3)4)19-12-13-25-20(15-19)27(35-36(25)26-11-7-8-14-38-26)28-32-22-9-5-6-10-23(22)33-28;1-15-18(12-25-13-19(15)26-23(30)32-24(2,3)4)16-8-9-21-17(11-16)20(14-29)27-28(21)22-7-5-6-10-31-22;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-7-8(12)5-13-6-9(7)14-10(15)16-11(2,3)4;1-4-5(7)2-8-3-6(4)9(10)11;1-4-5(7)2-9-3-6(4)8;7-5-3-1-2-4-6(5)8/h12-13,15-17,26H,5-11,14H2,1-4H3,(H,32,33)(H,34,37);8-9,11-14,22H,5-7,10H2,1-4H3,(H,26,30);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;2*5-6H,1-4H3,(H,14,15);2-3H,1H3;2-3H,8H2,1H3;1-4H2
• InChIKey: BSEILFJWHALEPH-UHFFFAOYSA-N
• XLogP: 31.73
• TPSA: 577.43 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Rotatable Bonds: 17
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3022.01
LogP ≤ 5	31.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;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 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157445572) is 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;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 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;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 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;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.CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.Cc1c(Br)cncc1NC(=O)OC(C)(C)C.Cc1c(Br)cncc1NC(=O)OC(C)(C)C.Cc1c(Br)cncc1[N+](=O)[O-].Cc1c(N)cncc1Br.Cc1c(NC(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(-c1nc3c([nH]1)CCCC3)nn2C1CCCCO1.Cc1c(NC(=O)OC(C)(C)C)cncc1-c1ccc2c(c1)c(C=O)nn2C1CCCCO1.O=C1CCCCC1=O.O=Cc1nn(C2CCCCO2)c2ccc(I)cc12.

What is the InChIKey of 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is BSEILFJWHALEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O3.C24H28N4O4.C19H25BN2O4.C13H13IN2O2.C12H24B2O4.2C11H15BrN2O2.C6H5BrN2O2.C6H7BrN2.C6H8O2/c1-18-21(16-31-17-24(18)34-29(37)39-30(2,3)4)19-12-13-25-20(15-19)27(35-36(25)26-11-7-8-14-38-26)28-32-22-9-5-6-10-23(22)33-28;1-15-18(12-25-13-19(15)26-23(30)32-24(2,3)4)16-8-9-21-17(11-16)20(14-29)27-28(21)22-7-5-6-10-31-22;1-18(2)19(3,4)26-20(25-18)13-8-9-16-14(11-13)15(12-23)21-22(16)17-7-5-6-10-24-17;14-9-4-5-12-10(7-9)11(8-17)15-16(12)13-3-1-2-6-18-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;2*1-7-8(12)5-13-6-9(7)14-10(15)16-11(2,3)4;1-4-5(7)2-8-3-6(4)9(10)11;1-4-5(7)2-9-3-6(4)8;7-5-3-1-2-4-6(5)8/h12-13,15-17,26H,5-11,14H2,1-4H3,(H,32,33)(H,34,37);8-9,11-14,22H,5-7,10H2,1-4H3,(H,26,30);8-9,11-12,17H,5-7,10H2,1-4H3;4-5,7-8,13H,1-3,6H2;1-8H3;2*5-6H,1-4H3,(H,14,15);2-3H,1H3;2-3H,8H2,1H3;1-4H2.

What are the key properties of 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;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 3022.01 g/mol, XLogP of 31.73, 17 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-methyl-5-nitropyridine;5-bromo-4-methylpyridin-3-amine;bis(tert-butyl N-(5-bromo-4-methyl-3-pyridinyl)carbamate);tert-butyl N-[5-[3-formyl-1-(oxan-2-yl)indazol-5-yl]-4-methyl-3-pyridinyl]carbamate;tert-butyl N-[4-methyl-5-[1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazol-5-yl]-3-pyridinyl]carbamate;cyclohexane-1,2-dione;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde;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 157445572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).