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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole

C260H386Cl3N37O12S5 — CID 162201402

IUPAC4-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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cc[n+]([O-])c(Cl)c1.CC(C)(C)c1cc[nH]c(=O)c1.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)c1ccccn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccnc(S(C)(=O)=O)c1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.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(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)n1.Cc1ccncc1C(C)(C)C.Cc1ncccc1C(C)(C)C.Cn1cc(C(C)(C)C)nn1
InChIInChI=1S/C13H20N2O.C10H12N2.2C10H15NO2S.3C10H15NO.2C10H15NS.5C10H15N.C9H12ClNO.2C9H12ClN.C9H14N2.3C9H13NO.C9H13N.3C8H12N2.C7H13N3.C7H12N2.C7H11NS/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-10(2,3)8-4-5-12-9(6-8)7-11;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;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-5-11(12)8(10)6-7;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)7-4-5-11-8(10)6-7;1-9(2,3)7-4-5-10-8(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;1-9(2,3)8-6-4-5-7-10-8;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;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;5*5-7H,1-4H3;4-6H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyZRQBMXYRVYPBRI-UHFFFAOYSA-N
MW4488.89 g/mol
LogP62.08
Rot. Bonds6

About 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole

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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole (PubChem CID 162201402) has the molecular formula C260H386Cl3N37O12S5 and a molecular weight of 4488.89 g/mol. Its IUPAC name is 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole.

Molecular Properties

Compound Name4-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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole
PubChem CID162201402
Molecular FormulaC260H386Cl3N37O12S5
Molecular Weight4488.89 g/mol
Exact Mass4483.84
IUPAC Name4-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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cc[n+]([O-])c(Cl)c1.CC(C)(C)c1cc[nH]c(=O)c1.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)c1ccccn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccnc(S(C)(=O)=O)c1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.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(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)n1.Cc1ccncc1C(C)(C)C.Cc1ncccc1C(C)(C)C.Cn1cc(C(C)(C)C)nn1
InChIInChI=1S/C13H20N2O.C10H12N2.2C10H15NO2S.3C10H15NO.2C10H15NS.5C10H15N.C9H12ClNO.2C9H12ClN.C9H14N2.3C9H13NO.C9H13N.3C8H12N2.C7H13N3.C7H12N2.C7H11NS/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-10(2,3)8-4-5-12-9(6-8)7-11;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;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-5-11(12)8(10)6-7;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)7-4-5-11-8(10)6-7;1-9(2,3)7-4-5-10-8(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;1-9(2,3)8-6-4-5-7-10-8;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;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;5*5-7H,1-4H3;4-6H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3
InChIKeyZRQBMXYRVYPBRI-UHFFFAOYSA-N
XLogP62.08
TPSA663.21 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds6
Heavy Atoms317
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004488.89
LogP ≤ 562.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Analyze 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole?
The IUPAC name of 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole (CID 162201402) is 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole.
What is the SMILES notation for 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole?
The canonical SMILES for 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole is CC(C)(C)c1cc[n+]([O-])c(Cl)c1.CC(C)(C)c1cc[nH]c(=O)c1.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)c1ccccn1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccnc(C#N)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccnc(N)c1.CC(C)(C)c1ccnc(S(C)(=O)=O)c1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1ncccn1.CC(C)(C)c1nccs1.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(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)c[n+]1[O-].Cc1ccc(C(C)(C)C)cn1.Cc1cccc(C(C)(C)C)n1.Cc1ccncc1C(C)(C)C.Cc1ncccc1C(C)(C)C.Cn1cc(C(C)(C)C)nn1.
What is the InChIKey of 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole?
The InChIKey is ZRQBMXYRVYPBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C10H12N2.2C10H15NO2S.3C10H15NO.2C10H15NS.5C10H15N.C9H12ClNO.2C9H12ClN.C9H14N2.3C9H13NO.C9H13N.3C8H12N2.C7H13N3.C7H12N2.C7H11NS/c1-13(2,3)11-4-5-12(14-10-11)15-6-8-16-9-7-15;1-10(2,3)8-4-5-12-9(6-8)7-11;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;1-8-7-9(5-6-11-8)10(2,3)4;1-8-5-6-11-7-9(8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8-9(10(2,3)4)6-5-7-11-8;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-4-5-11(12)8(10)6-7;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)7-4-5-11-8(10)6-7;1-9(2,3)7-4-5-10-8(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;1-9(2,3)8-6-4-5-7-10-8;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;1-7(2,3)6-5-10(4)9-8-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-8-4-5-9-6/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;5*5-7H,1-4H3;4-6H,1-3H3;2*4-6H,1-3H3;4-6H,1-3H3,(H2,10,11);4-6H,1-3H3,(H,10,11);2*4-7H,1-3H3;4-7H,1-3H3;3*4-6H,1-3H3;5H,1-4H3;4-5H,1-3H3,(H,8,9);4-5H,1-3H3.
What are the key properties of 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole?
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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole has a molecular weight of 4488.89 g/mol, XLogP of 62.08, 6 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 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;4-tert-butyl-1-methyltriazole;2-tert-butyl-1-oxidopyridin-1-ium;3-tert-butyl-1-oxidopyridin-1-ium;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;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;2-tert-butyl-1,3-thiazole is sourced from PubChem (CID 162201402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).