5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C63H64BBr3N10O6 — CID 157140038

About 5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157140038) has the molecular formula C63H64BBr3N10O6 and a molecular weight of 1307.79 g/mol. Its IUPAC name is 5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;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-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 157140038
• Molecular Formula: C63H64BBr3N10O6
• Molecular Weight: 1307.79 g/mol
• Exact Mass: 1304.27
• IUPAC Name: 5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1ccc(Br)nc1.C#CCOC.CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.COCC#Cc1ccc(-c2cnc3[nH]ccc3c2)cn1.COCC#Cc1ccc(Br)cn1.COCCCc1ccc(-c2cnc3[nH]ccc3c2)cn1
• InChI: InChI=1S/C16H17N3O.C16H13N3O.C13H17BN2O2.C9H8BrNO.C5H3Br2N.C4H6O/c2*1-20-8-2-3-15-5-4-13(10-18-15)14-9-12-6-7-17-16(12)19-11-14;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-12-6-2-3-9-5-4-8(10)7-11-9;6-4-1-2-5(7)8-3-4;1-3-4-5-2/h4-7,9-11H,2-3,8H2,1H3,(H,17,19);4-7,9-11H,8H2,1H3,(H,17,19);5-8H,1-4H3,(H,15,16);4-5,7H,6H2,1H3;1-3H;1H,4H2,2H3
• InChIKey: AKBWIUPBDALOHY-UHFFFAOYSA-N
• XLogP: 12.40
• TPSA: 192.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1307.79
LogP ≤ 5	12.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;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-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 157140038) is 5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;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-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;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-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is Brc1ccc(Br)nc1.C#CCOC.CC1(C)OB(c2cnc3[nH]ccc3c2)OC1(C)C.COCC#Cc1ccc(-c2cnc3[nH]ccc3c2)cn1.COCC#Cc1ccc(Br)cn1.COCCCc1ccc(-c2cnc3[nH]ccc3c2)cn1.

What is the InChIKey of 5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is AKBWIUPBDALOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O.C16H13N3O.C13H17BN2O2.C9H8BrNO.C5H3Br2N.C4H6O/c2*1-20-8-2-3-15-5-4-13(10-18-15)14-9-12-6-7-17-16(12)19-11-14;1-12(2)13(3,4)18-14(17-12)10-7-9-5-6-15-11(9)16-8-10;1-12-6-2-3-9-5-4-8(10)7-11-9;6-4-1-2-5(7)8-3-4;1-3-4-5-2/h4-7,9-11H,2-3,8H2,1H3,(H,17,19);4-7,9-11H,8H2,1H3,(H,17,19);5-8H,1-4H3,(H,15,16);4-5,7H,6H2,1H3;1-3H;1H,4H2,2H3.

What are the key properties of 5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine?

5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1307.79 g/mol, XLogP of 12.40, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(3-methoxyprop-1-ynyl)pyridine;2,5-dibromopyridine;5-[6-(3-methoxypropyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;3-methoxyprop-1-yne;5-[6-(3-methoxyprop-1-ynyl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157140038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).