lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide

C64H68Br3KLiN14O16S- — CID 158670725

About lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide

lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide (PubChem CID 158670725) has the molecular formula C64H68Br3KLiN14O16S- and a molecular weight of 1607.15 g/mol. Its IUPAC name is lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide.

Molecular Properties

• Compound Name: lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide
• PubChem CID: 158670725
• Molecular Formula: C64H68Br3KLiN14O16S-
• Molecular Weight: 1607.15 g/mol
• Exact Mass: 1603.20
• IUPAC Name: lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide
• SMILES: C=CCC#N.CCOC(=O)c1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1.O=S(=O)(O)O.[C-]#[N+]C/C=C/c1ccc2ncc(C(=O)OCC)n2c1.[C-]#[N+]CCCc1ccc2ncc(C(=O)O)n2c1.[C-]#[N+]CCCc1ccc2ncc(C(=O)OCC)n2c1.[H]/[C-]=C(/Br)C(=O)OCC.[K+].[Li+].[OH-].[OH-]
• InChI: InChI=1S/C14H15N3O2.C14H13N3O2.C12H11N3O2.C10H9BrN2O2.C5H5BrN2.C5H6BrO2.C4H5N.K.Li.H2O4S.2H2O/c2*1-3-19-14(18)12-9-16-13-7-6-11(10-17(12)13)5-4-8-15-2;1-13-6-2-3-9-4-5-11-14-7-10(12(16)17)15(11)8-9;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;6-4-1-2-5(7)8-3-4;1-3-8-5(7)4(2)6;1-2-3-4-5;;;1-5(2,3)4;;/h6-7,9-10H,3-5,8H2,1H3;4-7,9-10H,3,8H2,1H3;4-5,7-8H,2-3,6H2,(H,16,17);3-6H,2H2,1H3;1-3H,(H2,7,8);2H,3H2,1H3;2H,1,3H2;;;(H2,1,2,3,4);2*1H2/q;;;;;-1;;2*+1;;;/p-2/b;5-4+
• InChIKey: QVKBVBQSVRUJPU-BPNXKZDGSA-L
• XLogP: 5.74
• TPSA: 422.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1607.15
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide?

The IUPAC name of lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide (CID 158670725) is lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide.

What is the SMILES notation for lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide?

The canonical SMILES for lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide is C=CCC#N.CCOC(=O)c1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1.O=S(=O)(O)O.[C-]#[N+]C/C=C/c1ccc2ncc(C(=O)OCC)n2c1.[C-]#[N+]CCCc1ccc2ncc(C(=O)O)n2c1.[C-]#[N+]CCCc1ccc2ncc(C(=O)OCC)n2c1.[H]/[C-]=C(/Br)C(=O)OCC.[K+].[Li+].[OH-].[OH-].

What is the InChIKey of lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide?

The InChIKey is QVKBVBQSVRUJPU-BPNXKZDGSA-L. The full InChI is InChI=1S/C14H15N3O2.C14H13N3O2.C12H11N3O2.C10H9BrN2O2.C5H5BrN2.C5H6BrO2.C4H5N.K.Li.H2O4S.2H2O/c2*1-3-19-14(18)12-9-16-13-7-6-11(10-17(12)13)5-4-8-15-2;1-13-6-2-3-9-4-5-11-14-7-10(12(16)17)15(11)8-9;1-2-15-10(14)8-5-12-9-4-3-7(11)6-13(8)9;6-4-1-2-5(7)8-3-4;1-3-8-5(7)4(2)6;1-2-3-4-5;;;1-5(2,3)4;;/h6-7,9-10H,3-5,8H2,1H3;4-7,9-10H,3,8H2,1H3;4-5,7-8H,2-3,6H2,(H,16,17);3-6H,2H2,1H3;1-3H,(H2,7,8);2H,3H2,1H3;2H,1,3H2;;;(H2,1,2,3,4);2*1H2/q;;;;;-1;;2*+1;;;/p-2/b;5-4+;;;;;;;;;;.

What are the key properties of lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide?

lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide has a molecular weight of 1607.15 g/mol, XLogP of 5.74, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;potassium;5-bromopyridin-2-amine;but-3-enenitrile;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromoprop-2-enoate;ethyl 6-[(E)-3-isocyanoprop-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylate;6-(3-isocyanopropyl)imidazo[1,2-a]pyridine-3-carboxylic acid;sulfuric acid;dihydroxide is sourced from PubChem (CID 158670725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).