5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline

C173H207Cl8F8N15O3S2 — CID 162107091

IUPAC5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline
SMILESC=S(C)c1ccccc1C(C)C.CC(C)c1cc(Cl)cc(Cl)n1.CC(C)c1ccc(-n2cncn2)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2c1cnn2C.CC(C)c1cn2ncccc2n1.CC(C)c1nc(Cl)ccc1C(C)(F)F.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(Cl)cc1C(C)(F)F.COc1cc(C)ccc1C(C)C.COc1cc2ccccc2cc1C(C)C.COc1ccc2ccccc2c1C(C)C.Cc1c(F)cccc1C(C)C.Cc1ccc2scc(C(C)C)c2c1.Cc1cnc2c(C(C)C)c(Cl)ccc2c1
InChIInChI=1S/2C14H16O.C13H14ClN.C12H13N.C12H14S.C11H12ClN3.C11H14N2.C11H16O.C11H16S.2C10H12ClF2N.C10H13F.C9H9ClF3N.C9H11N3.C8H9Cl2N.C8H10ClN/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)15-3;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-8(2)12-11(14)5-4-10-6-9(3)7-15-13(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)10-6-5-9(3)7-11(10)12-4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-6(2)9-8(10(3,12)13)4-7(11)5-14-9;1-6(2)9-7(10(3,12)13)4-5-8(11)14-9;1-7(2)9-5-4-6-10(11)8(9)3;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-5(2)7-3-6(9)4-8(10)11-7;1-6(2)8-4-3-7(9)5-10-8/h2*4-10H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;5-8H,1-4H3;5-9H,3H2,1-2,4H3;2*4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyZFQPBHTUFYOBAI-UHFFFAOYSA-N
MW3044.40 g/mol
LogP55.62
Rot. Bonds23

About 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline

5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline (PubChem CID 162107091) has the molecular formula C173H207Cl8F8N15O3S2 and a molecular weight of 3044.40 g/mol. Its IUPAC name is 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline.

Molecular Properties

Compound Name5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline
PubChem CID162107091
Molecular FormulaC173H207Cl8F8N15O3S2
Molecular Weight3044.40 g/mol
Exact Mass3038.33
IUPAC Name5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline
SMILESC=S(C)c1ccccc1C(C)C.CC(C)c1cc(Cl)cc(Cl)n1.CC(C)c1ccc(-n2cncn2)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2c1cnn2C.CC(C)c1cn2ncccc2n1.CC(C)c1nc(Cl)ccc1C(C)(F)F.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(Cl)cc1C(C)(F)F.COc1cc(C)ccc1C(C)C.COc1cc2ccccc2cc1C(C)C.COc1ccc2ccccc2c1C(C)C.Cc1c(F)cccc1C(C)C.Cc1ccc2scc(C(C)C)c2c1.Cc1cnc2c(C(C)C)c(Cl)ccc2c1
InChIInChI=1S/2C14H16O.C13H14ClN.C12H13N.C12H14S.C11H12ClN3.C11H14N2.C11H16O.C11H16S.2C10H12ClF2N.C10H13F.C9H9ClF3N.C9H11N3.C8H9Cl2N.C8H10ClN/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)15-3;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-8(2)12-11(14)5-4-10-6-9(3)7-15-13(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)10-6-5-9(3)7-11(10)12-4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-6(2)9-8(10(3,12)13)4-7(11)5-14-9;1-6(2)9-7(10(3,12)13)4-5-8(11)14-9;1-7(2)9-5-4-6-10(11)8(9)3;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-5(2)7-3-6(9)4-8(10)11-7;1-6(2)8-4-3-7(9)5-10-8/h2*4-10H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;5-8H,1-4H3;5-9H,3H2,1-2,4H3;2*4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyZFQPBHTUFYOBAI-UHFFFAOYSA-N
XLogP55.62
TPSA196.64 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds23
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003044.40
LogP ≤ 555.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline with MolForge

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Related Compounds

4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole
CID 157351327
5-bromo-3-propan-2-yl-1-benzothiophene;4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylindazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole;2-propan-2-ylquinoline
CID 160364396
3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 162269176
3-(4-chloro-3-fluorophenyl)-2-propan-2-ylpyridine;3-(4-ethylsulfonylphenyl)-2-propan-2-ylpyridine;2-fluoro-5-(2-propan-2-yl-3-pyridinyl)aniline;N-[2-fluoro-5-(2-propan-2-yl-3-pyridinyl)phenyl]acetamide;3-(6-methoxynaphthalen-2-yl)-2-propan-2-ylpyridine;N-(methyl-methylidene-oxo-lambda6-sulfanyl)-4-(2-propan-2-yl-3-pyridinyl)aniline;2-(4-methylphenyl)-3-propan-2-ylpyrazine;3-(1-methylpyrazol-4-yl)-2-propan-2-ylpyridine;3-naphthalen-2-yl-2-propan-2-ylpyridine;5-(2-propan-2-yl-3-pyridinyl)-2H-benzimidazole;6-(2-propan-2-yl-3-pyridinyl)imidazo[1,2-a]pyridine;2-propan-2-yl-3-pyridin-3-ylpyridine;6-(2-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 159946066
3-(1-Benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;4-chloro-5-methylpyrrolo[3,2-d]pyrimidine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 160501127
3-(1-Benzothiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;4-chloro-1-methylpyrazolo[3,4-b]pyridine;4-chloro-1-methylpyrazolo[5,4-d]pyrimidine;7-chloro-1-methylpyrrolo[3,2-b]pyridine;4-chloro-7-methylpyrrolo[2,3-d]pyrimidine;3-(1,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dimethylindazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethylpyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1,4-xylene
CID 163510186

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline?
The IUPAC name of 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline (CID 162107091) is 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline.
What is the SMILES notation for 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline?
The canonical SMILES for 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline is C=S(C)c1ccccc1C(C)C.CC(C)c1cc(Cl)cc(Cl)n1.CC(C)c1ccc(-n2cncn2)cc1Cl.CC(C)c1ccc(Cl)cn1.CC(C)c1ccc2ccccc2n1.CC(C)c1cccc2c1cnn2C.CC(C)c1cn2ncccc2n1.CC(C)c1nc(Cl)ccc1C(C)(F)F.CC(C)c1ncc(C(F)(F)F)cc1Cl.CC(C)c1ncc(Cl)cc1C(C)(F)F.COc1cc(C)ccc1C(C)C.COc1cc2ccccc2cc1C(C)C.COc1ccc2ccccc2c1C(C)C.Cc1c(F)cccc1C(C)C.Cc1ccc2scc(C(C)C)c2c1.Cc1cnc2c(C(C)C)c(Cl)ccc2c1.
What is the InChIKey of 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline?
The InChIKey is ZFQPBHTUFYOBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H16O.C13H14ClN.C12H13N.C12H14S.C11H12ClN3.C11H14N2.C11H16O.C11H16S.2C10H12ClF2N.C10H13F.C9H9ClF3N.C9H11N3.C8H9Cl2N.C8H10ClN/c1-10(2)13-8-11-6-4-5-7-12(11)9-14(13)15-3;1-10(2)14-12-7-5-4-6-11(12)8-9-13(14)15-3;1-8(2)12-11(14)5-4-10-6-9(3)7-15-13(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-8(2)10-4-3-9(5-11(10)12)15-7-13-6-14-15;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-8(2)10-6-5-9(3)7-11(10)12-4;1-9(2)10-7-5-6-8-11(10)12(3)4;1-6(2)9-8(10(3,12)13)4-7(11)5-14-9;1-6(2)9-7(10(3,12)13)4-5-8(11)14-9;1-7(2)9-5-4-6-10(11)8(9)3;1-5(2)8-7(10)3-6(4-14-8)9(11,12)13;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-5(2)7-3-6(9)4-8(10)11-7;1-6(2)8-4-3-7(9)5-10-8/h2*4-10H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3-8H,1-2H3;4-8H,1-3H3;5-8H,1-4H3;5-9H,3H2,1-2,4H3;2*4-6H,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline?
5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline has a molecular weight of 3044.40 g/mol, XLogP of 55.62, 23 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-λ4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline is sourced from PubChem (CID 162107091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).