5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

C49H55BBr3N13O5 — CID 160521448

About 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide

5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 160521448) has the molecular formula C49H55BBr3N13O5 and a molecular weight of 1156.59 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
• PubChem CID: 160521448
• Molecular Formula: C49H55BBr3N13O5
• Molecular Weight: 1156.59 g/mol
• Exact Mass: 1153.21
• IUPAC Name: 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
• SMILES: Brc1cnc2c(c1)CCN2.CC1(C)OB(c2cnc3c(c2)CCN3C(N)=O)OC1(C)C.Cc1ccncc1-c1cnc2c(c1)CCN2C(N)=O.Cc1ccncc1Br.NC(=O)N1CCc2cc(Br)cnc21
• InChI: InChI=1S/C14H20BN3O3.C14H14N4O.C8H8BrN3O.C7H7BrN2.C6H6BrN/c1-13(2)14(3,4)21-15(20-13)10-7-9-5-6-18(12(16)19)11(9)17-8-10;1-9-2-4-16-8-12(9)11-6-10-3-5-18(14(15)19)13(10)17-7-11;9-6-3-5-1-2-12(8(10)13)7(5)11-4-6;8-6-3-5-1-2-9-7(5)10-4-6;1-5-2-3-8-4-6(5)7/h7-8H,5-6H2,1-4H3,(H2,16,19);2,4,6-8H,3,5H2,1H3,(H2,15,19);3-4H,1-2H2,(H2,10,13);3-4H,1-2H2,(H,9,10);2-4H,1H3
• InChIKey: QUIAZQYKHVFDDY-UHFFFAOYSA-N
• XLogP: 7.97
• TPSA: 246.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 2
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1156.59
LogP ≤ 5	7.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?

The IUPAC name of 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide (CID 160521448) is 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide.

What is the SMILES notation for 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?

The canonical SMILES for 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is Brc1cnc2c(c1)CCN2.CC1(C)OB(c2cnc3c(c2)CCN3C(N)=O)OC1(C)C.Cc1ccncc1-c1cnc2c(c1)CCN2C(N)=O.Cc1ccncc1Br.NC(=O)N1CCc2cc(Br)cnc21.

What is the InChIKey of 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?

The InChIKey is QUIAZQYKHVFDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BN3O3.C14H14N4O.C8H8BrN3O.C7H7BrN2.C6H6BrN/c1-13(2)14(3,4)21-15(20-13)10-7-9-5-6-18(12(16)19)11(9)17-8-10;1-9-2-4-16-8-12(9)11-6-10-3-5-18(14(15)19)13(10)17-7-11;9-6-3-5-1-2-12(8(10)13)7(5)11-4-6;8-6-3-5-1-2-9-7(5)10-4-6;1-5-2-3-8-4-6(5)7/h7-8H,5-6H2,1-4H3,(H2,16,19);2,4,6-8H,3,5H2,1H3,(H2,15,19);3-4H,1-2H2,(H2,10,13);3-4H,1-2H2,(H,9,10);2-4H,1H3.

What are the key properties of 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide?

5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 1156.59 g/mol, XLogP of 7.97, 2 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine;5-bromo-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;3-bromo-4-methylpyridine;5-(4-methyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 160521448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).