bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane

C90H127Cl5N10O26Sn — CID 159521877

IUPACbis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)c(N)n1.C=Cc1ccc(C(=O)OC)c(NC=O)n1.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(C)(C)C.COC(=O)c1ccc(C=O)nc1NC=O.COC(=O)c1ccc(Cl)nc1Cl.COC(=O)c1ccc(Cl)nc1N.O=C(O)c1ccc(Cl)nc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H10N2O3.C9H8N2O4.C9H10N2O2.C8H18O3.2C8H18O2.C7H5Cl2NO2.C7H7ClN2O2.C6H3Cl2NO2.3C4H9.C2H3.4CO.Sn/c1-3-7-4-5-8(10(14)15-2)9(12-7)11-6-13;1-15-9(14)7-3-2-6(4-12)11-8(7)10-5-13;1-3-6-4-5-7(8(10)11-6)9(12)13-2;1-7(2,3)9-11-10-8(4,5)6;2*1-7(2,3)9-10-8(4,5)6;2*1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;3*1-3-4-2;5*1-2;/h3-6H,1H2,2H3,(H,11,12,13);2-5H,1H3,(H,10,11,13);3-5H,1H2,2H3,(H2,10,11);1-6H3;2*1-6H3;2-3H,1H3;2-3H,1H3,(H2,9,10);1-2H,(H,10,11);3*1,3-4H2,2H3;1H,2H2;;;;;
InChIKeyMBXCYRBWLYUPLM-UHFFFAOYSA-N
MW2061.03 g/mol
LogP20.72
Rot. Bonds27

About bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane

bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane (PubChem CID 159521877) has the molecular formula C90H127Cl5N10O26Sn and a molecular weight of 2061.03 g/mol. Its IUPAC name is bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane.

Molecular Properties

Compound Namebis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane
PubChem CID159521877
Molecular FormulaC90H127Cl5N10O26Sn
Molecular Weight2061.03 g/mol
Exact Mass2058.64
IUPAC Namebis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane
SMILESC=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)c(N)n1.C=Cc1ccc(C(=O)OC)c(NC=O)n1.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(C)(C)C.COC(=O)c1ccc(C=O)nc1NC=O.COC(=O)c1ccc(Cl)nc1Cl.COC(=O)c1ccc(Cl)nc1N.O=C(O)c1ccc(Cl)nc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C10H10N2O3.C9H8N2O4.C9H10N2O2.C8H18O3.2C8H18O2.C7H5Cl2NO2.C7H7ClN2O2.C6H3Cl2NO2.3C4H9.C2H3.4CO.Sn/c1-3-7-4-5-8(10(14)15-2)9(12-7)11-6-13;1-15-9(14)7-3-2-6(4-12)11-8(7)10-5-13;1-3-6-4-5-7(8(10)11-6)9(12)13-2;1-7(2,3)9-11-10-8(4,5)6;2*1-7(2,3)9-10-8(4,5)6;2*1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;3*1-3-4-2;5*1-2;/h3-6H,1H2,2H3,(H,11,12,13);2-5H,1H3,(H,10,11,13);3-5H,1H2,2H3,(H2,10,11);1-6H3;2*1-6H3;2-3H,1H3;2-3H,1H3,(H2,9,10);1-2H,(H,10,11);3*1,3-4H2,2H3;1H,2H2;;;;;
InChIKeyMBXCYRBWLYUPLM-UHFFFAOYSA-N
XLogP20.72
TPSA517.66 Ų
H-Bond Donors5
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002061.03
LogP ≤ 520.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrakis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 6-[5-[3,5-bis(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-formamidopyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
CID 172929113
tris(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;methyl 2-formamido-6-[(E)-hydroxyiminomethyl]pyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
CID 172932378
tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;3-chloropyridine-4-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 159057954
tert-butyl N-[(3-chloro-4-pyridinyl)methyl]-N-(5-formyl-2-pyridinyl)carbamate;4-chloropyridine-3-carbaldehyde;6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carbaldehyde;[6-[(3-chloro-4-pyridinyl)methylamino]-3-pyridinyl]methanol;methyl 6-aminopyridine-3-carboxylate;methyl 6-[(3-chloro-4-pyridinyl)methylamino]pyridine-3-carboxylate
CID 159106702

Frequently Asked Questions

What is the IUPAC name of bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane?
The IUPAC name of bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane (CID 159521877) is bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane.
What is the SMILES notation for bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane?
The canonical SMILES for bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane is C=C[Sn](CCCC)(CCCC)CCCC.C=Cc1ccc(C(=O)OC)c(N)n1.C=Cc1ccc(C(=O)OC)c(NC=O)n1.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOC(C)(C)C.CC(C)(C)OOOC(C)(C)C.COC(=O)c1ccc(C=O)nc1NC=O.COC(=O)c1ccc(Cl)nc1Cl.COC(=O)c1ccc(Cl)nc1N.O=C(O)c1ccc(Cl)nc1Cl.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane?
The InChIKey is MBXCYRBWLYUPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3.C9H8N2O4.C9H10N2O2.C8H18O3.2C8H18O2.C7H5Cl2NO2.C7H7ClN2O2.C6H3Cl2NO2.3C4H9.C2H3.4CO.Sn/c1-3-7-4-5-8(10(14)15-2)9(12-7)11-6-13;1-15-9(14)7-3-2-6(4-12)11-8(7)10-5-13;1-3-6-4-5-7(8(10)11-6)9(12)13-2;1-7(2,3)9-11-10-8(4,5)6;2*1-7(2,3)9-10-8(4,5)6;2*1-12-7(11)4-2-3-5(8)10-6(4)9;7-4-2-1-3(6(10)11)5(8)9-4;3*1-3-4-2;5*1-2;/h3-6H,1H2,2H3,(H,11,12,13);2-5H,1H3,(H,10,11,13);3-5H,1H2,2H3,(H2,10,11);1-6H3;2*1-6H3;2-3H,1H3;2-3H,1H3,(H2,9,10);1-2H,(H,10,11);3*1,3-4H2,2H3;1H,2H2;;;;;.
What are the key properties of bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane?
bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane has a molecular weight of 2061.03 g/mol, XLogP of 20.72, 27 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-tert-butylperoxy-2-methylpropane);carbon monoxide;2,6-dichloropyridine-3-carboxylic acid;methyl 2-amino-6-chloropyridine-3-carboxylate;methyl 2-amino-6-ethenylpyridine-3-carboxylate;methyl 2,6-dichloropyridine-3-carboxylate;methyl 6-ethenyl-2-formamidopyridine-3-carboxylate;methyl 2-formamido-6-formylpyridine-3-carboxylate;2-methyl-2-[(2-methylpropan-2-yl)oxyperoxy]propane;tributyl(ethenyl)stannane is sourced from PubChem (CID 159521877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).