About lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate
lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate (PubChem CID 160971821) has the molecular formula C135H131Br9LiN25O26
and a molecular weight of 3245.76 g/mol. Its IUPAC name is lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate.
Frequently Asked Questions
What is the IUPAC name of lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate?
The IUPAC name of lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate (CID 160971821) is lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate.
What is the SMILES notation for lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate?
The canonical SMILES for lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate is C=CCBr.C=CCOc1ccc(Br)cc1C(=O)N(C(=O)OC(C)(C)C)c1cccc(-c2nncn2CC=C)n1.C=CCOc1ccc(Br)cc1C(=O)Nc1cccc(-c2nncn2CC=C)n1.C=CCOc1ccc(Br)cc1C(=O)O.C=CCOc1ccc(Br)cc1C(=O)OC.C=CCn1cnnc1-c1cccc(N)n1.CC(C)(C)OC(=O)N1C(=O)c2cc(Br)ccc2OC/C=C\Cn2cnnc2-c2cccc1n2.COC(=O)c1cc(Br)ccc1O.O.O=C(O)c1cc(Br)ccc1O.O=C1Nc2cccc(n2)-c2nncn2C/C=C\COc2ccc(Br)cc21.[Li+].[OH-].
What is the InChIKey of lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate?
The InChIKey is YLYQQYLGIMUSRR-CBLCIRATSA-M. The full InChI is InChI=1S/C25H26BrN5O4.C23H22BrN5O4.C20H18BrN5O2.C18H14BrN5O2.C11H11BrO3.C10H9BrO3.C10H11N5.C8H7BrO3.C7H5BrO3.C3H5Br.Li.2H2O/c1-6-13-30-16-27-29-22(30)19-9-8-10-21(28-19)31(24(33)35-25(3,4)5)23(32)18-15-17(26)11-12-20(18)34-14-7-2;1-23(2,3)33-22(31)29-19-8-6-7-17(26-19)20-27-25-14-28(20)11-4-5-12-32-18-10-9-15(24)13-16(18)21(29)30;1-3-10-26-13-22-25-19(26)16-6-5-7-18(23-16)24-20(27)15-12-14(21)8-9-17(15)28-11-4-2;19-12-6-7-15-13(10-12)18(25)22-16-5-3-4-14(21-16)17-23-20-11-24(17)8-1-2-9-26-15;1-3-6-15-10-5-4-8(12)7-9(10)11(13)14-2;1-2-5-14-9-4-3-7(11)6-8(9)10(12)13;1-2-6-15-7-12-14-10(15)8-4-3-5-9(11)13-8;1-12-8(11)6-4-5(9)2-3-7(6)10;8-4-1-2-6(9)5(3-4)7(10)11;1-2-3-4;;;/h6-12,15-16H,1-2,13-14H2,3-5H3;4-10,13-14H,11-12H2,1-3H3;3-9,12-13H,1-2,10-11H2,(H,23,24,27);1-7,10-11H,8-9H2,(H,21,22,25);3-5,7H,1,6H2,2H3;2-4,6H,1,5H2,(H,12,13);2-5,7H,1,6H2,(H2,11,13);2-4,10H,1H3;1-3,9H,(H,10,11);2H,1,3H2;;2*1H2/q;;;;;;;;;;+1;;/p-1/b;5-4-;;2-1-;;;;;;;;;.
What are the key properties of lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate?
lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate has a molecular weight of 3245.76 g/mol, XLogP of 25.46, 30 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;5-bromo-2-hydroxybenzoic acid;(8Z)-15-bromo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaen-18-one;3-bromoprop-1-ene;5-bromo-2-prop-2-enoxybenzoic acid;5-bromo-2-prop-2-enoxy-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;tert-butyl (8Z)-15-bromo-18-oxo-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,8,12(17),13,15,20,22-nonaene-19-carboxylate;tert-butyl N-(5-bromo-2-prop-2-enoxybenzoyl)-N-[6-(4-prop-2-enyl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamate;methyl 5-bromo-2-hydroxybenzoate;methyl 5-bromo-2-prop-2-enoxybenzoate;6-(4-prop-2-enyl-1,2,4-triazol-3-yl)pyridin-2-amine;hydroxide;hydrate is sourced from PubChem (CID 160971821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).