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

C187H273Cl3N22O11S4 — CID 159058825

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;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
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)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.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.Cc1ccncc1C(C)(C)C.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C13H20N2O.C10H12N2.2C10H15NO2S.3C10H15NO.2C10H15NS.4C10H15N.C9H12ClNO.2C9H12ClN.C9H14N2.2C9H13NO/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;1-9(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/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;4*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);4-7H,1-3H3
InChIKeyJYEWPECBQDTPIS-UHFFFAOYSA-N
MW3240.01 g/mol
LogP44.81
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;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

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 (PubChem CID 159058825) has the molecular formula C187H273Cl3N22O11S4 and a molecular weight of 3240.01 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;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.

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;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
PubChem CID159058825
Molecular FormulaC187H273Cl3N22O11S4
Molecular Weight3240.01 g/mol
Exact Mass3235.94
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;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
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)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.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.Cc1ccncc1C(C)(C)C.Cc1ncccc1C(C)(C)C
InChIInChI=1S/C13H20N2O.C10H12N2.2C10H15NO2S.3C10H15NO.2C10H15NS.4C10H15N.C9H12ClNO.2C9H12ClN.C9H14N2.2C9H13NO/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;1-9(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/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;4*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);4-7H,1-3H3
InChIKeyJYEWPECBQDTPIS-UHFFFAOYSA-N
XLogP44.81
TPSA460.87 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds6
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003240.01
LogP ≤ 544.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

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;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 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);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
CID 157561399
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;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
CID 158715061
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-butyl-1-oxidopyridin-1-ium;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile
CID 160308694
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;4-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyridine;3-tert-butyl-2-methylpyridin-1-ium;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-butyl-1-oxidopyridin-1-ium;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile
CID 160308695
4-Tert-butyl-2-chloro-1-oxidopyridin-1-ium;bis(4-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;3-tert-butyl-1-oxidopyridin-1-ium;4-tert-butyl-1-oxidopyridin-1-ium;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butylpyridine-2-carbonitrile
CID 161481980
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
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

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;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?
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;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) 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;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.
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;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?
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;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 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)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.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.Cc1ccncc1C(C)(C)C.Cc1ncccc1C(C)(C)C.
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;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?
The InChIKey is JYEWPECBQDTPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C10H12N2.2C10H15NO2S.3C10H15NO.2C10H15NS.4C10H15N.C9H12ClNO.2C9H12ClN.C9H14N2.2C9H13NO/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;1-9(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/h4-5,10H,6-9H2,1-3H3;4-6H,1-3H3;2*5-7H,1-4H3;5*5-7H,1-4H3;4*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);4-7H,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;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?
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 has a molecular weight of 3240.01 g/mol, XLogP of 44.81, 6 rotatable bonds, 2 hydrogen bond donors, and 30 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;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 is sourced from PubChem (CID 159058825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).