4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate

C49H49Br5N12O6 — CID 159505804

About 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate

4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 159505804) has the molecular formula C49H49Br5N12O6 and a molecular weight of 1301.53 g/mol. Its IUPAC name is 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

• Compound Name: 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate
• PubChem CID: 159505804
• Molecular Formula: C49H49Br5N12O6
• Molecular Weight: 1301.53 g/mol
• Exact Mass: 1295.98
• IUPAC Name: 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate
• SMILES: Brc1cc(N2CCOCC2)nc2[nH]ccc12.Brc1ccnc2[nH]ccc12.CC(C)(C)OC(=O)n1ccc2c(Br)cc(N3CCOCC3)nc21.COn1ccc(Br)c2ccnc1-2.On1ccc(Br)c2ccnc1-2
• InChI: InChI=1S/C16H20BrN3O3.C11H12BrN3O.C8H7BrN2O.C7H5BrN2O.C7H5BrN2/c1-16(2,3)23-15(21)20-5-4-11-12(17)10-13(18-14(11)20)19-6-8-22-9-7-19;12-9-7-10(15-3-5-16-6-4-15)14-11-8(9)1-2-13-11;1-12-11-5-3-7(9)6-2-4-10-8(6)11;8-6-2-4-10(11)7-5(6)1-3-9-7;8-6-2-4-10-7-5(6)1-3-9-7/h4-5,10H,6-9H2,1-3H3;1-2,7H,3-6H2,(H,13,14);2-5H,1H3;1-4,11H;1-4H,(H,9,10)
• InChIKey: OZQUCBDVGKCFCN-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 191.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 3
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1301.53
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate?

The IUPAC name of 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate (CID 159505804) is 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate.

What is the SMILES notation for 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate?

The canonical SMILES for 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate is Brc1cc(N2CCOCC2)nc2[nH]ccc12.Brc1ccnc2[nH]ccc12.CC(C)(C)OC(=O)n1ccc2c(Br)cc(N3CCOCC3)nc21.COn1ccc(Br)c2ccnc1-2.On1ccc(Br)c2ccnc1-2.

What is the InChIKey of 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate?

The InChIKey is OZQUCBDVGKCFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3.C11H12BrN3O.C8H7BrN2O.C7H5BrN2O.C7H5BrN2/c1-16(2,3)23-15(21)20-5-4-11-12(17)10-13(18-14(11)20)19-6-8-22-9-7-19;12-9-7-10(15-3-5-16-6-4-15)14-11-8(9)1-2-13-11;1-12-11-5-3-7(9)6-2-4-10-8(6)11;8-6-2-4-10(11)7-5(6)1-3-9-7;8-6-2-4-10-7-5(6)1-3-9-7/h4-5,10H,6-9H2,1-3H3;1-2,7H,3-6H2,(H,13,14);2-5H,1H3;1-4,11H;1-4H,(H,9,10).

What are the key properties of 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate?

4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 1301.53 g/mol, XLogP of 11.70, 3 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-7-hydroxypyrrolo[2,3-b]pyridine;4-bromo-7-methoxypyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine;4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine;tert-butyl 4-bromo-6-morpholin-4-ylpyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 159505804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).