benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine

C90H107Br4ClN16O4Si2 — CID 161096740

IUPACbenzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccc2cc[nH]c2n1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCc3ccccn3)nc21.CCl.CO.NCCc1ccccn1.O=C(Br)c1ccccc1.O=C(c1ccccc1)n1ccc2ccc(Br)nc21.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1
InChIInChI=1S/C23H34N4Si.C16H25BrN2Si.C14H9BrN2O.C7H5BrN2.C7H5BrO.C7H6N2O.C7H6N2.C7H10N2.CH3Cl.CH4O/c1-17(2)28(18(3)4,19(5)6)27-16-13-20-10-11-22(26-23(20)27)25-15-12-21-9-7-8-14-24-21;1-11(2)20(12(3)4,13(5)6)19-10-9-14-7-8-15(17)18-16(14)19;15-12-7-6-10-8-9-17(13(10)16-12)14(18)11-4-2-1-3-5-11;8-6-2-1-5-3-4-9-7(5)10-6;8-7(9)6-4-2-1-3-5-6;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1;8-5-4-7-3-1-2-6-9-7;2*1-2/h7-11,13-14,16-19H,12,15H2,1-6H3,(H,25,26);7-13H,1-6H3;1-9H;1-4H,(H,9,10);1-5H;1-5,10H;1-5H,(H,8,9);1-3,6H,4-5,8H2;1H3;2H,1H3
InChIKeyVTDCBYYEDAMVNH-UHFFFAOYSA-N
MW1888.19 g/mol
LogP23.80
Rot. Bonds16

About benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine

benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 161096740) has the molecular formula C90H107Br4ClN16O4Si2 and a molecular weight of 1888.19 g/mol. Its IUPAC name is benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Namebenzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine
PubChem CID161096740
Molecular FormulaC90H107Br4ClN16O4Si2
Molecular Weight1888.19 g/mol
Exact Mass1882.46
IUPAC Namebenzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine
SMILESBrc1ccc2cc[nH]c2n1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCc3ccccn3)nc21.CCl.CO.NCCc1ccccn1.O=C(Br)c1ccccc1.O=C(c1ccccc1)n1ccc2ccc(Br)nc21.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1
InChIInChI=1S/C23H34N4Si.C16H25BrN2Si.C14H9BrN2O.C7H5BrN2.C7H5BrO.C7H6N2O.C7H6N2.C7H10N2.CH3Cl.CH4O/c1-17(2)28(18(3)4,19(5)6)27-16-13-20-10-11-22(26-23(20)27)25-15-12-21-9-7-8-14-24-21;1-11(2)20(12(3)4,13(5)6)19-10-9-14-7-8-15(17)18-16(14)19;15-12-7-6-10-8-9-17(13(10)16-12)14(18)11-4-2-1-3-5-11;8-6-2-1-5-3-4-9-7(5)10-6;8-7(9)6-4-2-1-3-5-6;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1;8-5-4-7-3-1-2-6-9-7;2*1-2/h7-11,13-14,16-19H,12,15H2,1-6H3,(H,25,26);7-13H,1-6H3;1-9H;1-4H,(H,9,10);1-5H;1-5,10H;1-5H,(H,8,9);1-3,6H,4-5,8H2;1H3;2H,1H3
InChIKeyVTDCBYYEDAMVNH-UHFFFAOYSA-N
XLogP23.80
TPSA267.07 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001888.19
LogP ≤ 523.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

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
benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine
CID 159854243
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;7-hydroxypyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
CID 160664616
6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;N-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine
CID 161708263
6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine
CID 161975803
6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;7-hydroxy-1H-pyrrolo[2,3-b]pyridin-7-ium;methane;N-phenyl-1H-pyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine
CID 162000919

Frequently Asked Questions

What is the IUPAC name of benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine (CID 161096740) is benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine is Brc1ccc2cc[nH]c2n1.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(Br)nc21.CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(NCCc3ccccn3)nc21.CCl.CO.NCCc1ccccn1.O=C(Br)c1ccccc1.O=C(c1ccccc1)n1ccc2ccc(Br)nc21.On1cccc2ccnc1-2.c1cnc2[nH]ccc2c1.
What is the InChIKey of benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is VTDCBYYEDAMVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4Si.C16H25BrN2Si.C14H9BrN2O.C7H5BrN2.C7H5BrO.C7H6N2O.C7H6N2.C7H10N2.CH3Cl.CH4O/c1-17(2)28(18(3)4,19(5)6)27-16-13-20-10-11-22(26-23(20)27)25-15-12-21-9-7-8-14-24-21;1-11(2)20(12(3)4,13(5)6)19-10-9-14-7-8-15(17)18-16(14)19;15-12-7-6-10-8-9-17(13(10)16-12)14(18)11-4-2-1-3-5-11;8-6-2-1-5-3-4-9-7(5)10-6;8-7(9)6-4-2-1-3-5-6;10-9-5-1-2-6-3-4-8-7(6)9;1-2-6-3-5-9-7(6)8-4-1;8-5-4-7-3-1-2-6-9-7;2*1-2/h7-11,13-14,16-19H,12,15H2,1-6H3,(H,25,26);7-13H,1-6H3;1-9H;1-4H,(H,9,10);1-5H;1-5,10H;1-5H,(H,8,9);1-3,6H,4-5,8H2;1H3;2H,1H3.
What are the key properties of benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine?
benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1888.19 g/mol, XLogP of 23.80, 16 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl bromide;6-bromo-1H-pyrrolo[2,3-b]pyridine;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-phenylmethanone;(6-bromopyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)silane;chloromethane;7-hydroxypyrrolo[2,3-b]pyridine;methanol;2-pyridin-2-ylethanamine;N-(2-pyridin-2-ylethyl)-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-6-amine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161096740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).