potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide

C99H93Br10Cl3KMnN13NaO21P — CID 161327436

IUPACpotassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide
SMILESCOC(=O)/C(=C\c1cccc(Br)c1C)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(C)c(Br)ccc2[nH]1.COC(=O)c1cc2c(C)c(Br)ccc2[nH]1.C[O-].Cc1c(Br)ccc2[nH]c(C#N)cc12.Cc1c(Br)ccc2[nH]c(C(=O)O)cc12.Cc1c(Br)ccc2[nH]c(C(N)=O)cc12.Cc1c(Br)cccc1C(=O)O.Cc1c(Br)cccc1C=O.Cc1c(Br)cccc1C=O.Cc1c(Br)cccc1CO.O=P(Cl)(Cl)Cl.O=[Mn]=O.[K+].[Na+].[OH-]
InChIInChI=1S/C11H10BrN3O2.2C11H10BrNO2.C10H9BrN2O.C10H7BrN2.C10H8BrNO2.C8H7BrO2.C8H9BrO.2C8H7BrO.C3H5N3O2.CH3O.Cl3OP.K.Mn.Na.H2O.2O/c1-7-8(4-3-5-9(7)12)6-10(14-15-13)11(16)17-2;2*1-6-7-5-10(11(14)15-2)13-9(7)4-3-8(6)12;1-5-6-4-9(10(12)14)13-8(6)3-2-7(5)11;1-6-8-4-7(5-12)13-10(8)3-2-9(6)11;1-5-6-4-9(10(13)14)12-8(6)3-2-7(5)11;1-5-6(8(10)11)3-2-4-7(5)9;3*1-6-7(5-10)3-2-4-8(6)9;1-8-3(7)2-5-6-4;1-2;1-5(2,3)4;;;;;;/h3-6H,1-2H3;2*3-5,13H,1-2H3;2-4,13H,1H3,(H2,12,14);2-4,13H,1H3;2-4,12H,1H3,(H,13,14);2-4H,1H3,(H,10,11);2-4,10H,5H2,1H3;2*2-5H,1H3;2H2,1H3;1H3;;;;;1H2;;/q;;;;;;;;;;;-1;;+1;;+1;;;/p-1/b10-6+;;;;;;;;;;;;;;;;;;
InChIKeyQNHFFFUVCOIGQS-YZQPXVEOSA-M
MW2854.30 g/mol
LogP23.71
Rot. Bonds13

About potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide

potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide (PubChem CID 161327436) has the molecular formula C99H93Br10Cl3KMnN13NaO21P and a molecular weight of 2854.30 g/mol. Its IUPAC name is potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide.

Molecular Properties

Compound Namepotassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide
PubChem CID161327436
Molecular FormulaC99H93Br10Cl3KMnN13NaO21P
Molecular Weight2854.30 g/mol
Exact Mass2841.62
IUPAC Namepotassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide
SMILESCOC(=O)/C(=C\c1cccc(Br)c1C)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(C)c(Br)ccc2[nH]1.COC(=O)c1cc2c(C)c(Br)ccc2[nH]1.C[O-].Cc1c(Br)ccc2[nH]c(C#N)cc12.Cc1c(Br)ccc2[nH]c(C(=O)O)cc12.Cc1c(Br)ccc2[nH]c(C(N)=O)cc12.Cc1c(Br)cccc1C(=O)O.Cc1c(Br)cccc1C=O.Cc1c(Br)cccc1C=O.Cc1c(Br)cccc1CO.O=P(Cl)(Cl)Cl.O=[Mn]=O.[K+].[Na+].[OH-]
InChIInChI=1S/C11H10BrN3O2.2C11H10BrNO2.C10H9BrN2O.C10H7BrN2.C10H8BrNO2.C8H7BrO2.C8H9BrO.2C8H7BrO.C3H5N3O2.CH3O.Cl3OP.K.Mn.Na.H2O.2O/c1-7-8(4-3-5-9(7)12)6-10(14-15-13)11(16)17-2;2*1-6-7-5-10(11(14)15-2)13-9(7)4-3-8(6)12;1-5-6-4-9(10(12)14)13-8(6)3-2-7(5)11;1-6-8-4-7(5-12)13-10(8)3-2-9(6)11;1-5-6-4-9(10(13)14)12-8(6)3-2-7(5)11;1-5-6(8(10)11)3-2-4-7(5)9;3*1-6-7(5-10)3-2-4-8(6)9;1-8-3(7)2-5-6-4;1-2;1-5(2,3)4;;;;;;/h3-6H,1-2H3;2*3-5,13H,1-2H3;2-4,13H,1H3,(H2,12,14);2-4,13H,1H3;2-4,12H,1H3,(H,13,14);2-4H,1H3,(H,10,11);2-4,10H,5H2,1H3;2*2-5H,1H3;2H2,1H3;1H3;;;;;1H2;;/q;;;;;;;;;;;-1;;+1;;+1;;;/p-1/b10-6+;;;;;;;;;;;;;;;;;;
InChIKeyQNHFFFUVCOIGQS-YZQPXVEOSA-M
XLogP23.71
TPSA581.79 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds13
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002854.30
LogP ≤ 523.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide?
The IUPAC name of potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide (CID 161327436) is potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide.
What is the SMILES notation for potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide?
The canonical SMILES for potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide is COC(=O)/C(=C\c1cccc(Br)c1C)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(C)c(Br)ccc2[nH]1.COC(=O)c1cc2c(C)c(Br)ccc2[nH]1.C[O-].Cc1c(Br)ccc2[nH]c(C#N)cc12.Cc1c(Br)ccc2[nH]c(C(=O)O)cc12.Cc1c(Br)ccc2[nH]c(C(N)=O)cc12.Cc1c(Br)cccc1C(=O)O.Cc1c(Br)cccc1C=O.Cc1c(Br)cccc1C=O.Cc1c(Br)cccc1CO.O=P(Cl)(Cl)Cl.O=[Mn]=O.[K+].[Na+].[OH-].
What is the InChIKey of potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide?
The InChIKey is QNHFFFUVCOIGQS-YZQPXVEOSA-M. The full InChI is InChI=1S/C11H10BrN3O2.2C11H10BrNO2.C10H9BrN2O.C10H7BrN2.C10H8BrNO2.C8H7BrO2.C8H9BrO.2C8H7BrO.C3H5N3O2.CH3O.Cl3OP.K.Mn.Na.H2O.2O/c1-7-8(4-3-5-9(7)12)6-10(14-15-13)11(16)17-2;2*1-6-7-5-10(11(14)15-2)13-9(7)4-3-8(6)12;1-5-6-4-9(10(12)14)13-8(6)3-2-7(5)11;1-6-8-4-7(5-12)13-10(8)3-2-9(6)11;1-5-6-4-9(10(13)14)12-8(6)3-2-7(5)11;1-5-6(8(10)11)3-2-4-7(5)9;3*1-6-7(5-10)3-2-4-8(6)9;1-8-3(7)2-5-6-4;1-2;1-5(2,3)4;;;;;;/h3-6H,1-2H3;2*3-5,13H,1-2H3;2-4,13H,1H3,(H2,12,14);2-4,13H,1H3;2-4,12H,1H3,(H,13,14);2-4H,1H3,(H,10,11);2-4,10H,5H2,1H3;2*2-5H,1H3;2H2,1H3;1H3;;;;;1H2;;/q;;;;;;;;;;;-1;;+1;;+1;;;/p-1/b10-6+;;;;;;;;;;;;;;;;;;.
What are the key properties of potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide?
potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide has a molecular weight of 2854.30 g/mol, XLogP of 23.71, 13 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;bis(3-bromo-2-methylbenzaldehyde);3-bromo-2-methylbenzoic acid;5-bromo-4-methyl-1H-indole-2-carbonitrile;5-bromo-4-methyl-1H-indole-2-carboxamide;5-bromo-4-methyl-1H-indole-2-carboxylic acid;(3-bromo-2-methylphenyl)methanol;dioxomanganese;methanolate;methyl 2-azidoacetate;methyl (E)-2-azido-3-(3-bromo-2-methylphenyl)prop-2-enoate;bis(methyl 5-bromo-4-methyl-1H-indole-2-carboxylate);phosphoryl trichloride;hydroxide is sourced from PubChem (CID 161327436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).