5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C49H67BBr2ClN11O5 — CID 157272370

About 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157272370) has the molecular formula C49H67BBr2ClN11O5 and a molecular weight of 1096.22 g/mol. Its IUPAC name is 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157272370
• Molecular Formula: C49H67BBr2ClN11O5
• Molecular Weight: 1096.22 g/mol
• Exact Mass: 1093.35
• IUPAC Name: 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CN(C)CCCO.CN(C)CCCOc1ccc(-c2cnc3[nH]ccc3c2)cn1.CN(C)CCCOc1ccc(Br)cn1.Clc1ncc(Br)cn1
• InChI: InChI=1S/C17H20N4O.C13H17BN2O2.C10H15BrN2O.C5H13NO.C4H2BrClN2/c1-21(2)8-3-9-22-16-5-4-14(11-19-16)15-10-13-6-7-18-17(13)20-12-15;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-13(2)6-3-7-14-10-5-4-9(11)8-12-10;1-6(2)4-3-5-7;5-3-1-7-4(6)8-2-3/h4-7,10-12H,3,8-9H2,1-2H3,(H,18,20);5-8H,1-4H3,(H,15,16);4-5,8H,3,6-7H2,1-2H3;7H,3-5H2,1-2H3;1-2H
• InChIKey: AYROMNZZZFSDKG-UHFFFAOYSA-N
• XLogP: 8.81
• TPSA: 175.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1096.22
LogP ≤ 5	8.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 157272370) is 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.CN(C)CCCO.CN(C)CCCOc1ccc(-c2cnc3[nH]ccc3c2)cn1.CN(C)CCCOc1ccc(Br)cn1.Clc1ncc(Br)cn1.

What is the InChIKey of 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is AYROMNZZZFSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O.C13H17BN2O2.C10H15BrN2O.C5H13NO.C4H2BrClN2/c1-21(2)8-3-9-22-16-5-4-14(11-19-16)15-10-13-6-7-18-17(13)20-12-15;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-13(2)6-3-7-14-10-5-4-9(11)8-12-10;1-6(2)4-3-5-7;5-3-1-7-4(6)8-2-3/h4-7,10-12H,3,8-9H2,1-2H3,(H,18,20);5-8H,1-4H3,(H,15,16);4-5,8H,3,6-7H2,1-2H3;7H,3-5H2,1-2H3;1-2H.

What are the key properties of 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1096.22 g/mol, XLogP of 8.81, 15 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-chloropyrimidine;3-[(5-bromo-2-pyridinyl)oxy]-N,N-dimethylpropan-1-amine;3-(dimethylamino)propan-1-ol;N,N-dimethyl-3-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157272370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).