lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate

C70H85Br2LiN25O20+ — CID 158264307

IUPAClithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate
SMILESCOC(=O)c1cc(-c2n[nH][n+](C)n2)cnc1N1CCOCC1.COC(=O)c1cc(-c2nn[nH]n2)cnc1N1CCOCC1.COC(=O)c1cc(Br)cnc1N1CCOCC1.Cn1nnc(-c2cnc(N3CCOCC3)c(C(=O)O)c2)n1.O.O=C(O)c1cc(Br)cnc1N1CCOCC1.[C-]#[N+]c1cnc(N2CCOCC2)c(C(=O)OC)c1.[Li+].[OH-]
InChIInChI=1S/C13H16N6O3.2C12H14N6O3.C12H13N3O3.C11H13BrN2O3.C10H11BrN2O3.Li.2H2O/c1-18-16-11(15-17-18)9-7-10(13(20)21-2)12(14-8-9)19-3-5-22-6-4-19;1-20-12(19)9-6-8(10-14-16-17-15-10)7-13-11(9)18-2-4-21-5-3-18;1-17-15-10(14-16-17)8-6-9(12(19)20)11(13-7-8)18-2-4-21-5-3-18;1-13-9-7-10(12(16)17-2)11(14-8-9)15-3-5-18-6-4-15;1-16-11(15)9-6-8(12)7-13-10(9)14-2-4-17-5-3-14;11-7-5-8(10(14)15)9(12-6-7)13-1-3-16-4-2-13;;;/h7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3,(H,14,15,16,17);6-7H,2-5H2,1H3,(H,19,20);7-8H,3-6H2,2H3;6-7H,2-5H2,1H3;5-6H,1-4H2,(H,14,15);;2*1H2/q;;;;;;+1;;
InChIKeyGKGGGLBJRGMMRJ-UHFFFAOYSA-N
MW1763.35 g/mol
LogP-0.89
Rot. Bonds15

About lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate

lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate (PubChem CID 158264307) has the molecular formula C70H85Br2LiN25O20+ and a molecular weight of 1763.35 g/mol. Its IUPAC name is lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate.

Molecular Properties

Compound Namelithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate
PubChem CID158264307
Molecular FormulaC70H85Br2LiN25O20+
Molecular Weight1763.35 g/mol
Exact Mass1760.49
IUPAC Namelithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate
SMILESCOC(=O)c1cc(-c2n[nH][n+](C)n2)cnc1N1CCOCC1.COC(=O)c1cc(-c2nn[nH]n2)cnc1N1CCOCC1.COC(=O)c1cc(Br)cnc1N1CCOCC1.Cn1nnc(-c2cnc(N3CCOCC3)c(C(=O)O)c2)n1.O.O=C(O)c1cc(Br)cnc1N1CCOCC1.[C-]#[N+]c1cnc(N2CCOCC2)c(C(=O)OC)c1.[Li+].[OH-]
InChIInChI=1S/C13H16N6O3.2C12H14N6O3.C12H13N3O3.C11H13BrN2O3.C10H11BrN2O3.Li.2H2O/c1-18-16-11(15-17-18)9-7-10(13(20)21-2)12(14-8-9)19-3-5-22-6-4-19;1-20-12(19)9-6-8(10-14-16-17-15-10)7-13-11(9)18-2-4-21-5-3-18;1-17-15-10(14-16-17)8-6-9(12(19)20)11(13-7-8)18-2-4-21-5-3-18;1-13-9-7-10(12(16)17-2)11(14-8-9)15-3-5-18-6-4-15;1-16-11(15)9-6-8(12)7-13-10(9)14-2-4-17-5-3-14;11-7-5-8(10(14)15)9(12-6-7)13-1-3-16-4-2-13;;;/h7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3,(H,14,15,16,17);6-7H,2-5H2,1H3,(H,19,20);7-8H,3-6H2,2H3;6-7H,2-5H2,1H3;5-6H,1-4H2,(H,14,15);;2*1H2/q;;;;;;+1;;
InChIKeyGKGGGLBJRGMMRJ-UHFFFAOYSA-N
XLogP-0.89
TPSA541.33 Ų
H-Bond Donors4
H-Bond Acceptors38
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001763.35
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate with MolForge

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Launch Full Analysis

Related Compounds

lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate
CID 159522440

Frequently Asked Questions

What is the IUPAC name of lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate?
The IUPAC name of lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate (CID 158264307) is lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate.
What is the SMILES notation for lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate?
The canonical SMILES for lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate is COC(=O)c1cc(-c2n[nH][n+](C)n2)cnc1N1CCOCC1.COC(=O)c1cc(-c2nn[nH]n2)cnc1N1CCOCC1.COC(=O)c1cc(Br)cnc1N1CCOCC1.Cn1nnc(-c2cnc(N3CCOCC3)c(C(=O)O)c2)n1.O.O=C(O)c1cc(Br)cnc1N1CCOCC1.[C-]#[N+]c1cnc(N2CCOCC2)c(C(=O)OC)c1.[Li+].[OH-].
What is the InChIKey of lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate?
The InChIKey is GKGGGLBJRGMMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3.2C12H14N6O3.C12H13N3O3.C11H13BrN2O3.C10H11BrN2O3.Li.2H2O/c1-18-16-11(15-17-18)9-7-10(13(20)21-2)12(14-8-9)19-3-5-22-6-4-19;1-20-12(19)9-6-8(10-14-16-17-15-10)7-13-11(9)18-2-4-21-5-3-18;1-17-15-10(14-16-17)8-6-9(12(19)20)11(13-7-8)18-2-4-21-5-3-18;1-13-9-7-10(12(16)17-2)11(14-8-9)15-3-5-18-6-4-15;1-16-11(15)9-6-8(12)7-13-10(9)14-2-4-17-5-3-14;11-7-5-8(10(14)15)9(12-6-7)13-1-3-16-4-2-13;;;/h7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3,(H,14,15,16,17);6-7H,2-5H2,1H3,(H,19,20);7-8H,3-6H2,2H3;6-7H,2-5H2,1H3;5-6H,1-4H2,(H,14,15);;2*1H2/q;;;;;;+1;;.
What are the key properties of lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate?
lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate has a molecular weight of 1763.35 g/mol, XLogP of -0.89, 15 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-bromo-2-morpholin-4-ylpyridine-3-carboxylic acid;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-isocyano-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(3-methyl-2H-tetrazol-3-ium-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;methyl 2-morpholin-4-yl-5-(2H-tetrazol-5-yl)pyridine-3-carboxylate;5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate is sourced from PubChem (CID 158264307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).