2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole

C240H351ClF16N30O — CID 158328873

IUPAC2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
SMILESCC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ncccc1Cl.CC(C)(C)Cc1ncccc1F.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1nccc(C(F)(F)F)n1.CC(C)C1=CC=NC1.CC(C)c1ccnn1C.CC(c1ccccn1)C(C)(C)C.CC(c1cccnc1)C(C)(C)C.CN(C)c1ncccc1CC(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(CC(C)(C)C)n(C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1cccnc1CC(C)(C)C.Cn1nc(-c2ccccc2)cc1CC(C)(C)C.Cn1nccc1CC(C)(C)C
InChIInChI=1S/C15H20N2.C12H20N2.3C11H17N.C10H14ClN.4C10H12F3N.C10H14FN.C10H18N2.C10H15NO.5C10H15N.C9H11F3N2.C9H16N2.2C9H13N.C7H12N2.C7H11N/c1-15(2,3)11-13-10-14(16-17(13)4)12-8-6-5-7-9-12;1-12(2,3)9-10-7-6-8-13-11(10)14(4)5;1-9(11(2,3)4)10-6-5-7-12-8-10;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9(11(2,3)4)10-7-5-6-8-12-10;1-10(2,3)7-9-8(11)5-4-6-12-9;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)7-9-8(11)5-4-6-12-9;1-8-6-9(12(5)11-8)7-10(2,3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)7-13-5-4-6(14-7)9(10,11)12;1-9(2,3)7-8-5-6-10-11(8)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-10H,11H2,1-4H3;6-8H,9H2,1-5H3;5-9H,1-4H3;5-7H,8H2,1-4H3;5-9H,1-4H3;4-6H,7H2,1-3H3;4*4-6H,1-3H3;4-6H,7H2,1-3H3;6H,7H2,1-5H3;5-7H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,1-3H3;5-6H,7H2,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3
InChIKeyGPTJDBSDBXPBMS-UHFFFAOYSA-N
MW4012.08 g/mol
LogP66.42
Rot. Bonds17

About 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole

2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole (PubChem CID 158328873) has the molecular formula C240H351ClF16N30O and a molecular weight of 4012.08 g/mol. Its IUPAC name is 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
PubChem CID158328873
Molecular FormulaC240H351ClF16N30O
Molecular Weight4012.08 g/mol
Exact Mass4008.78
IUPAC Name2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
SMILESCC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ncccc1Cl.CC(C)(C)Cc1ncccc1F.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1nccc(C(F)(F)F)n1.CC(C)C1=CC=NC1.CC(C)c1ccnn1C.CC(c1ccccn1)C(C)(C)C.CC(c1cccnc1)C(C)(C)C.CN(C)c1ncccc1CC(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(CC(C)(C)C)n(C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1cccnc1CC(C)(C)C.Cn1nc(-c2ccccc2)cc1CC(C)(C)C.Cn1nccc1CC(C)(C)C
InChIInChI=1S/C15H20N2.C12H20N2.3C11H17N.C10H14ClN.4C10H12F3N.C10H14FN.C10H18N2.C10H15NO.5C10H15N.C9H11F3N2.C9H16N2.2C9H13N.C7H12N2.C7H11N/c1-15(2,3)11-13-10-14(16-17(13)4)12-8-6-5-7-9-12;1-12(2,3)9-10-7-6-8-13-11(10)14(4)5;1-9(11(2,3)4)10-6-5-7-12-8-10;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9(11(2,3)4)10-7-5-6-8-12-10;1-10(2,3)7-9-8(11)5-4-6-12-9;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)7-9-8(11)5-4-6-12-9;1-8-6-9(12(5)11-8)7-10(2,3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)7-13-5-4-6(14-7)9(10,11)12;1-9(2,3)7-8-5-6-10-11(8)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-10H,11H2,1-4H3;6-8H,9H2,1-5H3;5-9H,1-4H3;5-7H,8H2,1-4H3;5-9H,1-4H3;4-6H,7H2,1-3H3;4*4-6H,1-3H3;4-6H,7H2,1-3H3;6H,7H2,1-5H3;5-7H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,1-3H3;5-6H,7H2,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3
InChIKeyGPTJDBSDBXPBMS-UHFFFAOYSA-N
XLogP66.42
TPSA353.91 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds17
Heavy Atoms288
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004012.08
LogP ≤ 566.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole?
The IUPAC name of 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole (CID 158328873) is 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole?
The canonical SMILES for 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole is CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ncccc1Cl.CC(C)(C)Cc1ncccc1F.CC(C)(C)c1cc(C(F)(F)F)ccn1.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccnc(C(F)(F)F)c1.CC(C)(C)c1cncc(C(F)(F)F)c1.CC(C)(C)c1nccc(C(F)(F)F)n1.CC(C)C1=CC=NC1.CC(C)c1ccnn1C.CC(c1ccccn1)C(C)(C)C.CC(c1cccnc1)C(C)(C)C.CN(C)c1ncccc1CC(C)(C)C.COc1ccnc(C(C)(C)C)c1.Cc1cc(CC(C)(C)C)n(C)n1.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1cccnc1CC(C)(C)C.Cn1nc(-c2ccccc2)cc1CC(C)(C)C.Cn1nccc1CC(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole?
The InChIKey is GPTJDBSDBXPBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C12H20N2.3C11H17N.C10H14ClN.4C10H12F3N.C10H14FN.C10H18N2.C10H15NO.5C10H15N.C9H11F3N2.C9H16N2.2C9H13N.C7H12N2.C7H11N/c1-15(2,3)11-13-10-14(16-17(13)4)12-8-6-5-7-9-12;1-12(2,3)9-10-7-6-8-13-11(10)14(4)5;1-9(11(2,3)4)10-6-5-7-12-8-10;1-9-6-5-7-12-10(9)8-11(2,3)4;1-9(11(2,3)4)10-7-5-6-8-12-10;1-10(2,3)7-9-8(11)5-4-6-12-9;1-9(2,3)7-4-8(6-14-5-7)10(11,12)13;1-9(2,3)8-6-7(4-5-14-8)10(11,12)13;1-9(2,3)7-4-5-14-8(6-7)10(11,12)13;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)7-9-8(11)5-4-6-12-9;1-8-6-9(12(5)11-8)7-10(2,3)4;1-10(2,3)9-7-8(12-4)5-6-11-9;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)7-13-5-4-6(14-7)9(10,11)12;1-9(2,3)7-8-5-6-10-11(8)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-10H,11H2,1-4H3;6-8H,9H2,1-5H3;5-9H,1-4H3;5-7H,8H2,1-4H3;5-9H,1-4H3;4-6H,7H2,1-3H3;4*4-6H,1-3H3;4-6H,7H2,1-3H3;6H,7H2,1-5H3;5-7H,1-4H3;2*5-7H,1-4H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-5H,1-3H3;5-6H,7H2,1-4H3;2*4-7H,1-3H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3.
What are the key properties of 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole?
2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole has a molecular weight of 4012.08 g/mol, XLogP of 66.42, 17 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methoxypyridine;2-tert-butyl-3-methylpyridine;2-tert-butyl-6-methylpyridine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butyl-4-(trifluoromethyl)pyridine;2-tert-butyl-6-(trifluoromethyl)pyridine;3-tert-butyl-5-(trifluoromethyl)pyridine;4-tert-butyl-2-(trifluoromethyl)pyridine;2-tert-butyl-4-(trifluoromethyl)pyrimidine;3-chloro-2-(2,2-dimethylpropyl)pyridine;2-(3,3-dimethylbutan-2-yl)pyridine;3-(3,3-dimethylbutan-2-yl)pyridine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;3-(2,2-dimethylpropyl)-N,N-dimethylpyridin-2-amine;2-(2,2-dimethylpropyl)-3-fluoropyridine;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;5-(2,2-dimethylpropyl)-1-methylpyrazole;2-(2,2-dimethylpropyl)-3-methylpyridine;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 158328873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).