5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C94H69Br2ClF5N13O12 — CID 159444170

About 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 159444170) has the molecular formula C94H69Br2ClF5N13O12 and a molecular weight of 1862.92 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• PubChem CID: 159444170
• Molecular Formula: C94H69Br2ClF5N13O12
• Molecular Weight: 1862.92 g/mol
• Exact Mass: 1859.32
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
• SMILES: Brc1cnc2[nH]ccc2c1.COc1ccc(F)c(C(=O)Cl)c1.COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1.COc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1.COc1ccc(F)c(C(=O)c2cn(C(=O)OC(C)(C)C)c3ncc(-c4cccnc4)cc23)c1.O=C(c1cc(O)ccc1F)c1c[nH]c2ncc(-c3cccnc3)cc12
• InChI: InChI=1S/C25H22FN3O4.C20H14FN3O2.C19H12FN3O2.C15H10BrFN2O2.C8H6ClFO2.C7H5BrN2/c1-25(2,3)33-24(31)29-14-20(22(30)19-11-17(32-4)7-8-21(19)26)18-10-16(13-28-23(18)29)15-6-5-9-27-12-15;1-26-14-4-5-18(21)16(8-14)19(25)17-11-24-20-15(17)7-13(10-23-20)12-3-2-6-22-9-12;20-17-4-3-13(24)7-15(17)18(25)16-10-23-19-14(16)6-12(9-22-19)11-2-1-5-21-8-11;1-21-9-2-3-13(17)11(5-9)14(20)12-7-19-15-10(12)4-8(16)6-18-15;1-12-5-2-3-7(10)6(4-5)8(9)11;8-6-3-5-1-2-9-7(5)10-4-6/h5-14H,1-4H3;2-11H,1H3,(H,23,24);1-10,24H,(H,22,23);2-7H,1H3,(H,18,19);2-4H,1H3;1-4H,(H,9,10)
• InChIKey: LSOCCVICRBQRPB-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 340.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1862.92
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 159444170) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

What is the SMILES notation for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is Brc1cnc2[nH]ccc2c1.COc1ccc(F)c(C(=O)Cl)c1.COc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1.COc1ccc(F)c(C(=O)c2c[nH]c3ncc(Br)cc23)c1.COc1ccc(F)c(C(=O)c2cn(C(=O)OC(C)(C)C)c3ncc(-c4cccnc4)cc23)c1.O=C(c1cc(O)ccc1F)c1c[nH]c2ncc(-c3cccnc3)cc12.

What is the InChIKey of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

The InChIKey is LSOCCVICRBQRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4.C20H14FN3O2.C19H12FN3O2.C15H10BrFN2O2.C8H6ClFO2.C7H5BrN2/c1-25(2,3)33-24(31)29-14-20(22(30)19-11-17(32-4)7-8-21(19)26)18-10-16(13-28-23(18)29)15-6-5-9-27-12-15;1-26-14-4-5-18(21)16(8-14)19(25)17-11-24-20-15(17)7-13(10-23-20)12-3-2-6-22-9-12;20-17-4-3-13(24)7-15(17)18(25)16-10-23-19-14(16)6-12(9-22-19)11-2-1-5-21-8-11;1-21-9-2-3-13(17)11(5-9)14(20)12-7-19-15-10(12)4-8(16)6-18-15;1-12-5-2-3-7(10)6(4-5)8(9)11;8-6-3-5-1-2-9-7(5)10-4-6/h5-14H,1-4H3;2-11H,1H3,(H,23,24);1-10,24H,(H,22,23);2-7H,1H3,(H,18,19);2-4H,1H3;1-4H,(H,9,10).

What are the key properties of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 1862.92 g/mol, XLogP of 21.21, 16 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(2-fluoro-5-methoxyphenyl)methanone;tert-butyl 3-(2-fluoro-5-methoxybenzoyl)-5-pyridin-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(2-fluoro-5-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2-fluoro-5-methoxybenzoyl chloride;(2-fluoro-5-methoxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 159444170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).