lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide

C84H94BrClKLiN12O19Si2 — CID 172954186

IUPAClithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide
SMILESC#C[Si](C)(C)C.C#Cc1ccc(OC)cn1.CCOC(=O)/C(Cl)=N/O.CCOC(=O)c1cc(-c2ccc(OC)cn2)on1.COc1ccc(-c2cc(C(=O)N3CC(c4ccccc4)C3)no2)nc1.COc1ccc(-c2cc(C(=O)O)no2)nc1.COc1ccc(Br)nc1.COc1ccc(C#C[Si](C)(C)C)nc1.[K+].[Li+].[OH-].[OH-].c1ccc(C2CNC2)cc1
InChIInChI=1S/C19H17N3O3.C12H12N2O4.C11H15NOSi.C10H8N2O4.C9H11N.C8H7NO.C6H6BrNO.C5H10Si.C4H6ClNO3.K.Li.2H2O/c1-24-15-7-8-16(20-10-15)18-9-17(21-25-18)19(23)22-11-14(12-22)13-5-3-2-4-6-13;1-3-17-12(15)10-6-11(18-14-10)9-5-4-8(16-2)7-13-9;1-13-11-6-5-10(12-9-11)7-8-14(2,3)4;1-15-6-2-3-7(11-5-6)9-4-8(10(13)14)12-16-9;1-2-4-8(5-3-1)9-6-10-7-9;1-3-7-4-5-8(10-2)6-9-7;1-9-5-2-3-6(7)8-4-5;1-5-6(2,3)4;1-2-9-4(7)3(5)6-8;;;;/h2-10,14H,11-12H2,1H3;4-7H,3H2,1-2H3;5-6,9H,1-4H3;2-5H,1H3,(H,13,14);1-5,9-10H,6-7H2;1,4-6H,2H3;2-4H,1H3;1H,2-4H3;8H,2H2,1H3;;;2*1H2/q;;;;;;;;;2*+1;;/p-2/b;;;;;;;;6-3-;;;;
InChIKeyQIXBUGIJTIAQCT-UYOIHJLNSA-L
MW1793.31 g/mol
LogP8.69
Rot. Bonds17

About lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide

lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide (PubChem CID 172954186) has the molecular formula C84H94BrClKLiN12O19Si2 and a molecular weight of 1793.31 g/mol. Its IUPAC name is lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide.

Molecular Properties

Compound Namelithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide
PubChem CID172954186
Molecular FormulaC84H94BrClKLiN12O19Si2
Molecular Weight1793.31 g/mol
Exact Mass1790.50
IUPAC Namelithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide
SMILESC#C[Si](C)(C)C.C#Cc1ccc(OC)cn1.CCOC(=O)/C(Cl)=N/O.CCOC(=O)c1cc(-c2ccc(OC)cn2)on1.COc1ccc(-c2cc(C(=O)N3CC(c4ccccc4)C3)no2)nc1.COc1ccc(-c2cc(C(=O)O)no2)nc1.COc1ccc(Br)nc1.COc1ccc(C#C[Si](C)(C)C)nc1.[K+].[Li+].[OH-].[OH-].c1ccc(C2CNC2)cc1
InChIInChI=1S/C19H17N3O3.C12H12N2O4.C11H15NOSi.C10H8N2O4.C9H11N.C8H7NO.C6H6BrNO.C5H10Si.C4H6ClNO3.K.Li.2H2O/c1-24-15-7-8-16(20-10-15)18-9-17(21-25-18)19(23)22-11-14(12-22)13-5-3-2-4-6-13;1-3-17-12(15)10-6-11(18-14-10)9-5-4-8(16-2)7-13-9;1-13-11-6-5-10(12-9-11)7-8-14(2,3)4;1-15-6-2-3-7(11-5-6)9-4-8(10(13)14)12-16-9;1-2-4-8(5-3-1)9-6-10-7-9;1-3-7-4-5-8(10-2)6-9-7;1-9-5-2-3-6(7)8-4-5;1-5-6(2,3)4;1-2-9-4(7)3(5)6-8;;;;/h2-10,14H,11-12H2,1H3;4-7H,3H2,1-2H3;5-6,9H,1-4H3;2-5H,1H3,(H,13,14);1-5,9-10H,6-7H2;1,4-6H,2H3;2-4H,1H3;1H,2-4H3;8H,2H2,1H3;;;2*1H2/q;;;;;;;;;2*+1;;/p-2/b;;;;;;;;6-3-;;;;
InChIKeyQIXBUGIJTIAQCT-UYOIHJLNSA-L
XLogP8.69
TPSA425.64 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds17
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001793.31
LogP ≤ 58.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide?
The IUPAC name of lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide (CID 172954186) is lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide.
What is the SMILES notation for lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide?
The canonical SMILES for lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide is C#C[Si](C)(C)C.C#Cc1ccc(OC)cn1.CCOC(=O)/C(Cl)=N/O.CCOC(=O)c1cc(-c2ccc(OC)cn2)on1.COc1ccc(-c2cc(C(=O)N3CC(c4ccccc4)C3)no2)nc1.COc1ccc(-c2cc(C(=O)O)no2)nc1.COc1ccc(Br)nc1.COc1ccc(C#C[Si](C)(C)C)nc1.[K+].[Li+].[OH-].[OH-].c1ccc(C2CNC2)cc1.
What is the InChIKey of lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide?
The InChIKey is QIXBUGIJTIAQCT-UYOIHJLNSA-L. The full InChI is InChI=1S/C19H17N3O3.C12H12N2O4.C11H15NOSi.C10H8N2O4.C9H11N.C8H7NO.C6H6BrNO.C5H10Si.C4H6ClNO3.K.Li.2H2O/c1-24-15-7-8-16(20-10-15)18-9-17(21-25-18)19(23)22-11-14(12-22)13-5-3-2-4-6-13;1-3-17-12(15)10-6-11(18-14-10)9-5-4-8(16-2)7-13-9;1-13-11-6-5-10(12-9-11)7-8-14(2,3)4;1-15-6-2-3-7(11-5-6)9-4-8(10(13)14)12-16-9;1-2-4-8(5-3-1)9-6-10-7-9;1-3-7-4-5-8(10-2)6-9-7;1-9-5-2-3-6(7)8-4-5;1-5-6(2,3)4;1-2-9-4(7)3(5)6-8;;;;/h2-10,14H,11-12H2,1H3;4-7H,3H2,1-2H3;5-6,9H,1-4H3;2-5H,1H3,(H,13,14);1-5,9-10H,6-7H2;1,4-6H,2H3;2-4H,1H3;1H,2-4H3;8H,2H2,1H3;;;2*1H2/q;;;;;;;;;2*+1;;/p-2/b;;;;;;;;6-3-;;;;.
What are the key properties of lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide?
lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide has a molecular weight of 1793.31 g/mol, XLogP of 8.69, 17 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;potassium;2-bromo-5-methoxypyridine;ethyl (2Z)-2-chloro-2-hydroxyiminoacetate;ethyl 5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylate;2-ethynyl-5-methoxypyridine;ethynyl(trimethyl)silane;2-(5-methoxy-2-pyridinyl)ethynyl-trimethylsilane;5-(5-methoxy-2-pyridinyl)-1,2-oxazole-3-carboxylic acid;[5-(5-methoxy-2-pyridinyl)-1,2-oxazol-3-yl]-(3-phenylazetidin-1-yl)methanone;3-phenylazetidine;dihydroxide is sourced from PubChem (CID 172954186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).