lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide

C93H117Br2LiN17O15- — CID 161048365

About lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide

lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide (PubChem CID 161048365) has the molecular formula C93H117Br2LiN17O15- and a molecular weight of 1879.81 g/mol. Its IUPAC name is lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide.

Molecular Properties

• Compound Name: lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide
• PubChem CID: 161048365
• Molecular Formula: C93H117Br2LiN17O15-
• Molecular Weight: 1879.81 g/mol
• Exact Mass: 1876.74
• IUPAC Name: lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide
• SMILES: Brc1cnc2[nH]ccc2c1.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1cnc2c(ccn2C)c1.CCCC(=O)N(C)OC.CCCC(=O)c1cnc2c(ccn2C)c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cnc2c(ccn2C)c1.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1cnc2c(ccn2C)c1.Cn1ccc2cc(Br)cnc21.[Li+].[OH-].[OH-]
• InChI: InChI=1S/C17H17N3O3.C16H15N3O3.C16H23N3.C12H14N2O.C8H7BrN2.C7H5BrN2.C7H10O4.C6H13NO2.C4H11N.Li.2H2O/c1-4-10-8-13(17(22)23-3)16(21)19-14(10)12-7-11-5-6-20(2)15(11)18-9-12;1-3-9-7-12(16(21)22)15(20)18-13(9)11-6-10-4-5-19(2)14(10)17-8-11;1-6-7-14(18-16(2,3)4)13-10-12-8-9-19(5)15(12)17-11-13;1-3-4-11(15)10-7-9-5-6-14(2)12(9)13-8-10;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)9-3;1-4(2,3)5;;;/h5-9H,4H2,1-3H3,(H,19,21);4-8H,3H2,1-2H3,(H,18,20)(H,21,22);8-11H,6-7H2,1-5H3;5-8H,3-4H2,1-2H3;2-5H,1H3;1-4H,(H,9,10);4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;;+1;;/p-2/b;;18-14+
• InChIKey: XKAUDOXJXYTXHA-UYSLDYTNSA-L
• XLogP: 14.12
• TPSA: 444.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.81
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide?

The IUPAC name of lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide (CID 161048365) is lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide.

What is the SMILES notation for lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide?

The canonical SMILES for lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide is Brc1cnc2[nH]ccc2c1.CC(C)(C)N.CC=C(C(=O)OC)C(=O)OC.CCC/C(=N\C(C)(C)C)c1cnc2c(ccn2C)c1.CCCC(=O)N(C)OC.CCCC(=O)c1cnc2c(ccn2C)c1.CCc1cc(C(=O)O)c(=O)[nH]c1-c1cnc2c(ccn2C)c1.CCc1cc(C(=O)OC)c(=O)[nH]c1-c1cnc2c(ccn2C)c1.Cn1ccc2cc(Br)cnc21.[Li+].[OH-].[OH-].

What is the InChIKey of lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide?

The InChIKey is XKAUDOXJXYTXHA-UYSLDYTNSA-L. The full InChI is InChI=1S/C17H17N3O3.C16H15N3O3.C16H23N3.C12H14N2O.C8H7BrN2.C7H5BrN2.C7H10O4.C6H13NO2.C4H11N.Li.2H2O/c1-4-10-8-13(17(22)23-3)16(21)19-14(10)12-7-11-5-6-20(2)15(11)18-9-12;1-3-9-7-12(16(21)22)15(20)18-13(9)11-6-10-4-5-19(2)14(10)17-8-11;1-6-7-14(18-16(2,3)4)13-10-12-8-9-19(5)15(12)17-11-13;1-3-4-11(15)10-7-9-5-6-14(2)12(9)13-8-10;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6;1-4-5(6(8)10-2)7(9)11-3;1-4-5-6(8)7(2)9-3;1-4(2,3)5;;;/h5-9H,4H2,1-3H3,(H,19,21);4-8H,3H2,1-2H3,(H,18,20)(H,21,22);8-11H,6-7H2,1-5H3;5-8H,3-4H2,1-2H3;2-5H,1H3;1-4H,(H,9,10);4H,1-3H3;4-5H2,1-3H3;5H2,1-3H3;;2*1H2/q;;;;;;;;;+1;;/p-2/b;;18-14+;;;;;;;;;.

What are the key properties of lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide?

lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide has a molecular weight of 1879.81 g/mol, XLogP of 14.12, 17 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-tert-butyl-1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-imine;dimethyl 2-ethylidenepropanedioate;5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;N-methoxy-N-methylbutanamide;methyl 5-ethyl-6-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-2-oxo-1H-pyridine-3-carboxylate;2-methylpropan-2-amine;1-(1-methylpyrrolo[2,3-b]pyridin-5-yl)butan-1-one;dihydroxide is sourced from PubChem (CID 161048365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).