6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

C86H86Br6ClIN18O8 — CID 158971068

About 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 158971068) has the molecular formula C86H86Br6ClIN18O8 and a molecular weight of 2141.53 g/mol. Its IUPAC name is 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 158971068
• Molecular Formula: C86H86Br6ClIN18O8
• Molecular Weight: 2141.53 g/mol
• Exact Mass: 2134.07
• IUPAC Name: 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
• SMILES: Brc1ccc2cc[nH]c2n1.CC(C)(C)OC(=O)n1cc(CCl)c2ccc(Br)nc21.CC(C)(C)OC(=O)n1cc(CI)c2ccc(Br)nc21.CN(C)Cc1c[nH]c2nc(Br)ccc12.CN(C)Cc1cn(C(=O)OC(C)(C)C)c2nc(Br)ccc12.O=C(c1ccccc1)n1ccc2ccc(Br)nc21.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1
• InChI: InChI=1S/C15H20BrN3O2.C14H9BrN2O.C13H14BrClN2O2.C13H14BrIN2O2.C10H12BrN3.C7H5BrN2.C7H6N2O.C7H6N2/c1-15(2,3)21-14(20)19-9-10(8-18(4)5)11-6-7-12(16)17-13(11)19;15-12-7-6-10-8-9-17(13(10)16-12)14(18)11-4-2-1-3-5-11;2*1-13(2,3)19-12(18)17-7-8(6-15)9-4-5-10(14)16-11(9)17;1-14(2)6-7-5-12-10-8(7)3-4-9(11)13-10;8-6-2-1-5-3-4-9-7(5)10-6;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1/h6-7,9H,8H2,1-5H3;1-9H;2*4-5,7H,6H2,1-3H3;3-5H,6H2,1-2H3,(H,12,13);1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9)
• InChIKey: ONSWEJPJXDKKIC-UHFFFAOYSA-N
• XLogP: 23.47
• TPSA: 297.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 23
• Rotatable Bonds: 7
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2141.53
LogP ≤ 5	23.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (CID 158971068) is 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is Brc1ccc2cc[nH]c2n1.CC(C)(C)OC(=O)n1cc(CCl)c2ccc(Br)nc21.CC(C)(C)OC(=O)n1cc(CI)c2ccc(Br)nc21.CN(C)Cc1c[nH]c2nc(Br)ccc12.CN(C)Cc1cn(C(=O)OC(C)(C)C)c2nc(Br)ccc12.O=C(c1ccccc1)n1ccc2ccc(Br)nc21.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1.

What is the InChIKey of 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

The InChIKey is ONSWEJPJXDKKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.C14H9BrN2O.C13H14BrClN2O2.C13H14BrIN2O2.C10H12BrN3.C7H5BrN2.C7H6N2O.C7H6N2/c1-15(2,3)21-14(20)19-9-10(8-18(4)5)11-6-7-12(16)17-13(11)19;15-12-7-6-10-8-9-17(13(10)16-12)14(18)11-4-2-1-3-5-11;2*1-13(2,3)19-12(18)17-7-8(6-15)9-4-5-10(14)16-11(9)17;1-14(2)6-7-5-12-10-8(7)3-4-9(11)13-10;8-6-2-1-5-3-4-9-7(5)10-6;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1/h6-7,9H,8H2,1-5H3;1-9H;2*4-5,7H,6H2,1-3H3;3-5H,6H2,1-2H3,(H,12,13);1-4H,(H,9,10);1-5,10H;1-5H,(H,8,9).

What are the key properties of 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?

6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 2141.53 g/mol, XLogP of 23.47, 7 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-pyrrolo[2,3-b]pyridine;1-(6-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-N,N-dimethylmethanamine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;tert-butyl 6-bromo-3-(chloromethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-[(dimethylamino)methyl]pyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 6-bromo-3-(iodomethyl)pyrrolo[2,3-b]pyridine-1-carboxylate;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158971068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).