bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium

C188H274Cl4N24O12S4 — CID 162027349

IUPACbis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium
SMILESC=C.C=C.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)nc1.CC(C)(C)c1ccc[n+]([O-])c1.CC(C)(C)c1cccc[n+]1[O-].CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(S(C)(=O)=O)c1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.COc1cc(C(C)(C)C)ccn1.CSc1cc(C(C)(C)C)ccn1.CSc1ccc(C(C)(C)C)cn1.Cc1c(C(C)(C)C)ccc[n+]1[O-].Cc1cc[n+]([O-])c(Cl)c1.Cc1cc[n+]([O-])cc1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1cccc(C(C)(C)C)n1.Cc1ccncc1C(C)(C)C
InChIInChI=1S/C13H20N2O.2C10H15NO2S.3C10H15NO.2C10H15NS.2C10H15N.3C9H12ClN.2C9H13NO.3C8H12N2.C6H6ClNO.C6H7NO.2C2H4/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-10(2,3)8-5-6-11-9(7-8)14(4,12)13;1-10(2,3)8-5-6-9(11-7-8)14(4,12)13;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-5-6-9(7-11(8)12)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11(8)12;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-11-7-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;2*1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-5-4-6-10(11)7-8;1-9(2,3)8-6-4-5-7-10(8)11;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-5-2-3-8(9)6(7)4-5;1-6-2-4-7(8)5-3-6;2*1-2/h4-5,10H,6-9H2,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;2*5-7H,1-4H3;3*4-6H,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3;2-4H,1H3;2-5H,1H3;2*1-2H2
InChIKeyYVODDJGSDTYCOJ-UHFFFAOYSA-N
MW3332.50 g/mol
LogP44.77
Rot. Bonds6

About bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium

bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium (PubChem CID 162027349) has the molecular formula C188H274Cl4N24O12S4 and a molecular weight of 3332.50 g/mol. Its IUPAC name is bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium.

Molecular Properties

Compound Namebis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium
PubChem CID162027349
Molecular FormulaC188H274Cl4N24O12S4
Molecular Weight3332.50 g/mol
Exact Mass3327.92
IUPAC Namebis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium
SMILESC=C.C=C.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)nc1.CC(C)(C)c1ccc[n+]([O-])c1.CC(C)(C)c1cccc[n+]1[O-].CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(S(C)(=O)=O)c1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.COc1cc(C(C)(C)C)ccn1.CSc1cc(C(C)(C)C)ccn1.CSc1ccc(C(C)(C)C)cn1.Cc1c(C(C)(C)C)ccc[n+]1[O-].Cc1cc[n+]([O-])c(Cl)c1.Cc1cc[n+]([O-])cc1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1cccc(C(C)(C)C)n1.Cc1ccncc1C(C)(C)C
InChIInChI=1S/C13H20N2O.2C10H15NO2S.3C10H15NO.2C10H15NS.2C10H15N.3C9H12ClN.2C9H13NO.3C8H12N2.C6H6ClNO.C6H7NO.2C2H4/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-10(2,3)8-5-6-11-9(7-8)14(4,12)13;1-10(2,3)8-5-6-9(11-7-8)14(4,12)13;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-5-6-9(7-11(8)12)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11(8)12;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-11-7-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;2*1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-5-4-6-10(11)7-8;1-9(2,3)8-6-4-5-7-10(8)11;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-5-2-3-8(9)6(7)4-5;1-6-2-4-7(8)5-3-6;2*1-2/h4-5,10H,6-9H2,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;2*5-7H,1-4H3;3*4-6H,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3;2-4H,1H3;2-5H,1H3;2*1-2H2
InChIKeyYVODDJGSDTYCOJ-UHFFFAOYSA-N
XLogP44.77
TPSA470.75 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds6
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003332.50
LogP ≤ 544.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium with MolForge

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Launch Full Analysis

Related Compounds

4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;3-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridin-2-amine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine
CID 157317809
4-Tert-butyl-2-chloro-1-oxidopyridin-1-ium;bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;3-tert-butyl-1-hydroxy-2-methylpyridin-1-ium;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;3-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;3-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine-2-carbonitrile;4-(5-tert-butyl-2-pyridinyl)morpholine
CID 157781510
4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine
CID 158098348
4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;3-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridin-2-amine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine
CID 159058825
4-butyl-1,3-thiazole;2-chloro-4-ethyl-5-methylpyridine;2-chloro-5-ethylpyridine;N,N-diethylpropan-1-amine;2-ethylpyrazine;5-ethylpyridin-2-amine;5-ethylpyrimidin-2-amine;4-ethylpyrimidine;1-methyl-4-[2-(4-methylphenoxy)ethyl]piperazine;methylsulfonylmethane
CID 159339045
4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-6-methylsulfonylpyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine
CID 161641476
4-tert-butyl-2-chloro-1-oxidopyridin-1-ium;4-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridin-2-amine;2-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile;4-tert-butyl-1H-pyridin-2-one;4-(5-tert-butyl-2-pyridinyl)morpholine
CID 161785621

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium?
The IUPAC name of bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium (CID 162027349) is bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium.
What is the SMILES notation for bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium?
The canonical SMILES for bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium is C=C.C=C.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(N2CCOCC2)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)nc1.CC(C)(C)c1ccc[n+]([O-])c1.CC(C)(C)c1cccc[n+]1[O-].CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(S(C)(=O)=O)c1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.COc1cc(C(C)(C)C)ccn1.CSc1cc(C(C)(C)C)ccn1.CSc1ccc(C(C)(C)C)cn1.Cc1c(C(C)(C)C)ccc[n+]1[O-].Cc1cc[n+]([O-])c(Cl)c1.Cc1cc[n+]([O-])cc1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1cccc(C(C)(C)C)n1.Cc1ccncc1C(C)(C)C.
What is the InChIKey of bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium?
The InChIKey is YVODDJGSDTYCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2C10H15NO2S.3C10H15NO.2C10H15NS.2C10H15N.3C9H12ClN.2C9H13NO.3C8H12N2.C6H6ClNO.C6H7NO.2C2H4/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-10(2,3)8-5-6-11-9(7-8)14(4,12)13;1-10(2,3)8-5-6-9(11-7-8)14(4,12)13;1-10(2,3)8-5-6-11-9(7-8)12-4;1-8-5-6-9(7-11(8)12)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11(8)12;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-9(12-4)11-7-8;1-8-5-6-11-7-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;2*1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)8-5-4-6-10(11)7-8;1-9(2,3)8-6-4-5-7-10(8)11;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-5-2-3-8(9)6(7)4-5;1-6-2-4-7(8)5-3-6;2*1-2/h4-5,10H,6-9H2,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;2*5-7H,1-4H3;3*4-6H,1-3H3;2*4-7H,1-3H3;3*4-6H,1-3H3;2-4H,1H3;2-5H,1H3;2*1-2H2.
What are the key properties of bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium?
bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium has a molecular weight of 3332.50 g/mol, XLogP of 44.77, 6 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-chloropyridine);5-tert-butyl-2-chloropyridine;4-tert-butyl-2-methoxypyridine;3-tert-butyl-2-methyl-1-oxidopyridin-1-ium;5-tert-butyl-2-methyl-1-oxidopyridin-1-ium;2-tert-butyl-6-methylpyridine;3-tert-butyl-4-methylpyridine;4-tert-butyl-2-methylsulfanylpyridine;5-tert-butyl-2-methylsulfanylpyridine;4-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyridine;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;4-(5-tert-butyl-2-pyridinyl)morpholine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;2-chloro-4-methyl-1-oxidopyridin-1-ium;ethene;4-methyl-1-oxidopyridin-1-ium is sourced from PubChem (CID 162027349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).