3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde

C110H128BBr2N17O14 — CID 160875958

About 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde

3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde (PubChem CID 160875958) has the molecular formula C110H128BBr2N17O14 and a molecular weight of 2082.96 g/mol. Its IUPAC name is 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde.

Molecular Properties

• Compound Name: 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
• PubChem CID: 160875958
• Molecular Formula: C110H128BBr2N17O14
• Molecular Weight: 2082.96 g/mol
• Exact Mass: 2079.83
• IUPAC Name: 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde
• SMILES: CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.COCc1cncc(-c2ccc3[nH]nc(-c4nc5c([nH]4)CCCC5)c3c2)c1C.COCc1cncc(-c2ccc3c(c2)c(-c2nc4c([nH]2)CCCC4)nn3C2CCCCO2)c1C.COCc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1C.COCc1cncc(Br)c1C.Cc1c(Br)cncc1CO.O=C1CCCCC1=O
• InChI: InChI=1S/C27H31N5O2.C22H23N5O.C21H23N3O3.C19H25BN2O4.C8H10BrNO.C7H8BrNO.C6H8O2/c1-17-19(16-33-2)14-28-15-21(17)18-10-11-24-20(13-18)26(31-32(24)25-9-5-6-12-34-25)27-29-22-7-3-4-8-23(22)30-27;1-13-15(12-28-2)10-23-11-17(13)14-7-8-18-16(9-14)21(27-26-18)22-24-19-5-3-4-6-20(19)25-22;1-14-16(13-26-2)10-22-11-18(14)15-6-7-20-17(9-15)19(12-25)23-24(20)21-5-3-4-8-27-21;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;1-6-7(5-11-2)3-10-4-8(6)9;1-5-6(4-10)2-9-3-7(5)8;7-5-3-1-2-4-6(5)8/h10-11,13-15,25H,3-9,12,16H2,1-2H3,(H,29,30);7-11H,3-6,12H2,1-2H3,(H,24,25)(H,26,27);6-7,9-12,21H,3-5,8,13H2,1-2H3;8-9,11-12,17H,5-7,10H2,1-4H3;3-4H,5H2,1-2H3;2-3,10H,4H2,1H3;1-4H2
• InChIKey: SMJWKWUOYLJQSK-UHFFFAOYSA-N
• XLogP: 21.42
• TPSA: 375.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.96
LogP ≤ 5	21.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', '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-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The IUPAC name of 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde (CID 160875958) is 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde.

What is the SMILES notation for 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The canonical SMILES for 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde is CC1(C)OB(c2ccc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.COCc1cncc(-c2ccc3[nH]nc(-c4nc5c([nH]4)CCCC5)c3c2)c1C.COCc1cncc(-c2ccc3c(c2)c(-c2nc4c([nH]2)CCCC4)nn3C2CCCCO2)c1C.COCc1cncc(-c2ccc3c(c2)c(C=O)nn3C2CCCCO2)c1C.COCc1cncc(Br)c1C.Cc1c(Br)cncc1CO.O=C1CCCCC1=O.

What is the InChIKey of 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

The InChIKey is SMJWKWUOYLJQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2.C22H23N5O.C21H23N3O3.C19H25BN2O4.C8H10BrNO.C7H8BrNO.C6H8O2/c1-17-19(16-33-2)14-28-15-21(17)18-10-11-24-20(13-18)26(31-32(24)25-9-5-6-12-34-25)27-29-22-7-3-4-8-23(22)30-27;1-13-15(12-28-2)10-23-11-17(13)14-7-8-18-16(9-14)21(27-26-18)22-24-19-5-3-4-6-20(19)25-22;1-14-16(13-26-2)10-22-11-18(14)15-6-7-20-17(9-15)19(12-25)23-24(20)21-5-3-4-8-27-21;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;1-6-7(5-11-2)3-10-4-8(6)9;1-5-6(4-10)2-9-3-7(5)8;7-5-3-1-2-4-6(5)8/h10-11,13-15,25H,3-9,12,16H2,1-2H3,(H,29,30);7-11H,3-6,12H2,1-2H3,(H,24,25)(H,26,27);6-7,9-12,21H,3-5,8,13H2,1-2H3;8-9,11-12,17H,5-7,10H2,1-4H3;3-4H,5H2,1-2H3;2-3,10H,4H2,1H3;1-4H2.

What are the key properties of 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde?

3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde has a molecular weight of 2082.96 g/mol, XLogP of 21.42, 20 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-5-(methoxymethyl)-4-methylpyridine;(5-bromo-4-methyl-3-pyridinyl)methanol;cyclohexane-1,2-dione;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)indazole-3-carbaldehyde;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-1-(oxan-2-yl)-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)indazole;5-[5-(methoxymethyl)-4-methyl-3-pyridinyl]-3-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-indazole;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-3-carbaldehyde is sourced from PubChem (CID 160875958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).