2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene

C276H370Cl5F6N31O7S8 — CID 159121451

IUPAC2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESC#Cc1cncc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)nc1.CC(C)c1ccc2nccn2c1.CC(C)c1cccn(C)c1=O.CC(C)c1cccn2nccc12.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2c1CCN(C1COC1)C2.CC(C)c1csc2ccc(Cl)cc12.CC(C)c1csc2ccccc12.CC(C)c1ncn2ccccc12.CCN1CCc2c(C(C)C)csc2C1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1F.Cc1ccc(C(C)C)cn1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1nc(C#N)ccc1C(C)C.Cc1nc(Cl)ccc1C(C)C.Cc1nc(F)ccc1C(C)C.Cc1ocnc1C(C)C.Cc1scnc1C(C)C
InChIInChI=1S/C13H19NOS.C12H19NS.C11H11ClS.C11H17NO.C11H17NS.C11H12S.4C10H12N2.C10H15N.C10H11N.2C9H12ClN.2C9H12FN.C9H10N2.2C9H13NO.3C9H13N.C8H10ClN.C8H9F3S.C8H10FN.C7H9ClS.C7H11NO.C7H11NS.2C6H9NO/c1-9(2)12-8-16-13-5-14(4-3-11(12)13)10-6-15-7-10;1-4-13-6-5-10-11(9(2)3)8-14-12(10)7-13;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)10-9-5-3-4-6-12(9)7-11-10;1-7(2)10-5-4-9(6-11)12-8(10)3;1-7(2)10-5-8(3)6-11-9(10)4;1-4-9-5-10(8(2)3)7-11-6-9;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-4-5-9(10)11-7(8)3;1-6(2)8-4-7(3)9(10)11-5-8;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-10(3)9(8)11;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-4-7(8)9-6;2*1-5(2)7-6(3)9-4-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h8-10H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;3-7H,1-2H3;5-9H,1-4H3;7-8H,4-6H2,1-3H3;4*3-8H,1-2H3;4-5,7H,1-3H3;5-7H,1-4H3;1,5-8H,2-3H3;4*4-6H,1-3H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3
InChIKeyKFSYFGCAQJJROT-UHFFFAOYSA-N
MW4781.99 g/mol
LogP81.07
Rot. Bonds35

About 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene

2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 159121451) has the molecular formula C276H370Cl5F6N31O7S8 and a molecular weight of 4781.99 g/mol. Its IUPAC name is 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID159121451
Molecular FormulaC276H370Cl5F6N31O7S8
Molecular Weight4781.99 g/mol
Exact Mass4775.57
IUPAC Name2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESC#Cc1cncc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)nc1.CC(C)c1ccc2nccn2c1.CC(C)c1cccn(C)c1=O.CC(C)c1cccn2nccc12.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2c1CCN(C1COC1)C2.CC(C)c1csc2ccc(Cl)cc12.CC(C)c1csc2ccccc12.CC(C)c1ncn2ccccc12.CCN1CCc2c(C(C)C)csc2C1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1F.Cc1ccc(C(C)C)cn1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1nc(C#N)ccc1C(C)C.Cc1nc(Cl)ccc1C(C)C.Cc1nc(F)ccc1C(C)C.Cc1ocnc1C(C)C.Cc1scnc1C(C)C
InChIInChI=1S/C13H19NOS.C12H19NS.C11H11ClS.C11H17NO.C11H17NS.C11H12S.4C10H12N2.C10H15N.C10H11N.2C9H12ClN.2C9H12FN.C9H10N2.2C9H13NO.3C9H13N.C8H10ClN.C8H9F3S.C8H10FN.C7H9ClS.C7H11NO.C7H11NS.2C6H9NO/c1-9(2)12-8-16-13-5-14(4-3-11(12)13)10-6-15-7-10;1-4-13-6-5-10-11(9(2)3)8-14-12(10)7-13;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)10-9-5-3-4-6-12(9)7-11-10;1-7(2)10-5-4-9(6-11)12-8(10)3;1-7(2)10-5-8(3)6-11-9(10)4;1-4-9-5-10(8(2)3)7-11-6-9;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-4-5-9(10)11-7(8)3;1-6(2)8-4-7(3)9(10)11-5-8;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-10(3)9(8)11;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-4-7(8)9-6;2*1-5(2)7-6(3)9-4-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h8-10H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;3-7H,1-2H3;5-9H,1-4H3;7-8H,4-6H2,1-3H3;4*3-8H,1-2H3;4-5,7H,1-3H3;5-7H,1-4H3;1,5-8H,2-3H3;4*4-6H,1-3H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3
InChIKeyKFSYFGCAQJJROT-UHFFFAOYSA-N
XLogP81.07
TPSA443.22 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds35
Heavy Atoms333
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004781.99
LogP ≤ 581.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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What is the IUPAC name of 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 159121451) is 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene is C#Cc1cncc(C(C)C)c1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1ccc(C#N)nc1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(Cl)nc1.CC(C)c1ccc(Cl)s1.CC(C)c1ccc(F)nc1.CC(C)c1ccc2nccn2c1.CC(C)c1cccn(C)c1=O.CC(C)c1cccn2nccc12.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1csc2c1CCN(C)C2.CC(C)c1csc2c1CCN(C1COC1)C2.CC(C)c1csc2ccc(Cl)cc12.CC(C)c1csc2ccccc12.CC(C)c1ncn2ccccc12.CCN1CCc2c(C(C)C)csc2C1.COc1ccc(C(C)C)cn1.Cc1cc(C(C)C)cnc1F.Cc1ccc(C(C)C)cn1.Cc1cnc(C)c(C(C)C)c1.Cc1cnc(Cl)c(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1cncc(C(C)C)c1.Cc1nc(C#N)ccc1C(C)C.Cc1nc(Cl)ccc1C(C)C.Cc1nc(F)ccc1C(C)C.Cc1ocnc1C(C)C.Cc1scnc1C(C)C.
What is the InChIKey of 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is KFSYFGCAQJJROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS.C12H19NS.C11H11ClS.C11H17NO.C11H17NS.C11H12S.4C10H12N2.C10H15N.C10H11N.2C9H12ClN.2C9H12FN.C9H10N2.2C9H13NO.3C9H13N.C8H10ClN.C8H9F3S.C8H10FN.C7H9ClS.C7H11NO.C7H11NS.2C6H9NO/c1-9(2)12-8-16-13-5-14(4-3-11(12)13)10-6-15-7-10;1-4-13-6-5-10-11(9(2)3)8-14-12(10)7-13;1-7(2)10-6-13-11-4-3-8(12)5-9(10)11;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)10-7-13-11-6-12(3)5-4-9(10)11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-4-3-7-12-10(9)5-6-11-12;1-8(2)10-9-5-3-4-6-12(9)7-11-10;1-7(2)10-5-4-9(6-11)12-8(10)3;1-7(2)10-5-8(3)6-11-9(10)4;1-4-9-5-10(8(2)3)7-11-6-9;1-6(2)8-4-7(3)5-11-9(8)10;1-6(2)8-4-5-9(10)11-7(8)3;1-6(2)8-4-7(3)9(10)11-5-8;1-6(2)8-4-5-9(10)11-7(8)3;1-7(2)8-3-4-9(5-10)11-6-8;1-7(2)8-4-5-9(11-3)10-6-8;1-7(2)8-5-4-6-10(3)9(8)11;2*1-7(2)9-4-8(3)5-10-6-9;1-7(2)9-5-4-8(3)10-6-9;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)7-3-4-8(9)10-5-7;1-5(2)6-3-4-7(8)9-6;2*1-5(2)7-6(3)9-4-8-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6/h8-10H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;3-7H,1-2H3;5-9H,1-4H3;7-8H,4-6H2,1-3H3;4*3-8H,1-2H3;4-5,7H,1-3H3;5-7H,1-4H3;1,5-8H,2-3H3;4*4-6H,1-3H3;3-4,6-7H,1-2H3;2*4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3.
What are the key properties of 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene?
2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 4781.99 g/mol, XLogP of 81.07, 35 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-3-propan-2-ylpyridine;6-chloro-2-methyl-3-propan-2-ylpyridine;5-chloro-3-propan-2-yl-1-benzothiophene;2-chloro-5-propan-2-ylpyridine;2-chloro-5-propan-2-ylthiophene;2,5-dimethyl-3-propan-2-ylpyridine;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-ethynyl-5-propan-2-ylpyridine;2-fluoro-3-methyl-5-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;5-methyl-4-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-ylpyridine;bis(3-methyl-5-propan-2-ylpyridine);6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;5-methyl-4-propan-2-yl-1,3-thiazole;6-(oxetan-3-yl)-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;3-propan-2-yl-1-benzothiophene;1-propan-2-ylimidazo[1,5-a]pyridine;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 159121451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).