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

C92H76Br3ClN10O14S2 — CID 158421795

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

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride (PubChem CID 158421795) has the molecular formula C92H76Br3ClN10O14S2 and a molecular weight of 1884.97 g/mol. Its IUPAC name is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride.

Molecular Properties

• Compound Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride
• PubChem CID: 158421795
• Molecular Formula: C92H76Br3ClN10O14S2
• Molecular Weight: 1884.97 g/mol
• Exact Mass: 1880.22
• IUPAC Name: 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride
• SMILES: Brc1cnc2[nH]ccc2c1.COc1cccc(C(=O)Cl)c1.COc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1.COc1cccc(C(=O)c2cn(C(=O)OC(C)(C)C)c3ncc(-c4ccsc4)cc23)c1.COc1cccc(C(=O)c2cn(C(=O)OC(C)(C)C)c3ncc(Br)cc23)c1.O=C(c1cccc(O)c1)c1c[nH]c2ncc(-c3ccsc3)cc12
• InChI: InChI=1S/C24H22N2O4S.C20H19BrN2O4.C18H12N2O2S.C15H11BrN2O2.C8H7ClO2.C7H5BrN2/c1-24(2,3)30-23(28)26-13-20(21(27)15-6-5-7-18(10-15)29-4)19-11-17(12-25-22(19)26)16-8-9-31-14-16;1-20(2,3)27-19(25)23-11-16(15-9-13(21)10-22-18(15)23)17(24)12-6-5-7-14(8-12)26-4;21-14-3-1-2-11(6-14)17(22)16-9-20-18-15(16)7-13(8-19-18)12-4-5-23-10-12;1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15;1-11-7-4-2-3-6(5-7)8(9)10;8-6-3-5-1-2-9-7(5)10-4-6/h5-14H,1-4H3;5-11H,1-4H3;1-10,21H,(H,19,20);2-8H,1H3,(H,17,18);2-5H,1H3;1-4H,(H,9,10)
• InChIKey: HAOOXGQPHDEXPQ-UHFFFAOYSA-N
• XLogP: 22.80
• TPSA: 316.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.97
LogP ≤ 5	22.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

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

The IUPAC name of 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride (CID 158421795) is 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride.

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

The canonical SMILES for 5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride is Brc1cnc2[nH]ccc2c1.COc1cccc(C(=O)Cl)c1.COc1cccc(C(=O)c2c[nH]c3ncc(Br)cc23)c1.COc1cccc(C(=O)c2cn(C(=O)OC(C)(C)C)c3ncc(-c4ccsc4)cc23)c1.COc1cccc(C(=O)c2cn(C(=O)OC(C)(C)C)c3ncc(Br)cc23)c1.O=C(c1cccc(O)c1)c1c[nH]c2ncc(-c3ccsc3)cc12.

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

The InChIKey is HAOOXGQPHDEXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S.C20H19BrN2O4.C18H12N2O2S.C15H11BrN2O2.C8H7ClO2.C7H5BrN2/c1-24(2,3)30-23(28)26-13-20(21(27)15-6-5-7-18(10-15)29-4)19-11-17(12-25-22(19)26)16-8-9-31-14-16;1-20(2,3)27-19(25)23-11-16(15-9-13(21)10-22-18(15)23)17(24)12-6-5-7-14(8-12)26-4;21-14-3-1-2-11(6-14)17(22)16-9-20-18-15(16)7-13(8-19-18)12-4-5-23-10-12;1-20-11-4-2-3-9(5-11)14(19)13-8-18-15-12(13)6-10(16)7-17-15;1-11-7-4-2-3-6(5-7)8(9)10;8-6-3-5-1-2-9-7(5)10-4-6/h5-14H,1-4H3;5-11H,1-4H3;1-10,21H,(H,19,20);2-8H,1H3,(H,17,18);2-5H,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)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride?

5-bromo-1H-pyrrolo[2,3-b]pyridine;(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride has a molecular weight of 1884.97 g/mol, XLogP of 22.80, 15 rotatable bonds, 4 hydrogen bond donors, and 23 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)-(3-methoxyphenyl)methanone;tert-butyl 5-bromo-3-(3-methoxybenzoyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 3-(3-methoxybenzoyl)-5-thiophen-3-ylpyrrolo[2,3-b]pyridine-1-carboxylate;(3-hydroxyphenyl)-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-methoxybenzoyl chloride is sourced from PubChem (CID 158421795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).