2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine

C234H312ClF3N22O4S7 — CID 160874968

IUPAC2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine
SMILESCC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.CC(C)c1cncn1C.CC(C)c1csc2cnccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.COc1ccc(C(C)C)c(C)n1.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1.Cc1ncoc1C(C)C
InChIInChI=1S/C13H17NO.3C12H16.2C11H13NS.C11H15N.C11H12S.C10H14FN.2C10H16N2.2C10H15NO.4C10H11NS.2C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12-4)11-8(9)3;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-8-5-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,9H,7-8H2,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*4-7H,1-3H3;3-5,8,12H,6-7H2,1-2H3;3-8H,1-2H3;5-7H,4H2,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;4*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeySMGRDIIZYBKKMP-UHFFFAOYSA-N
MW3814.14 g/mol
LogP66.95
Rot. Bonds28

About 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine

2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine (PubChem CID 160874968) has the molecular formula C234H312ClF3N22O4S7 and a molecular weight of 3814.14 g/mol. Its IUPAC name is 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine
PubChem CID160874968
Molecular FormulaC234H312ClF3N22O4S7
Molecular Weight3814.14 g/mol
Exact Mass3810.26
IUPAC Name2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine
SMILESCC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.CC(C)c1cncn1C.CC(C)c1csc2cnccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.COc1ccc(C(C)C)c(C)n1.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1.Cc1ncoc1C(C)C
InChIInChI=1S/C13H17NO.3C12H16.2C11H13NS.C11H15N.C11H12S.C10H14FN.2C10H16N2.2C10H15NO.4C10H11NS.2C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12-4)11-8(9)3;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-8-5-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,9H,7-8H2,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*4-7H,1-3H3;3-5,8,12H,6-7H2,1-2H3;3-8H,1-2H3;5-7H,4H2,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;4*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3
InChIKeySMGRDIIZYBKKMP-UHFFFAOYSA-N
XLogP66.95
TPSA294.36 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003814.14
LogP ≤ 566.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yl-4H-pyrazol-1-ium;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one;3-propan-2-ylthieno[2,3-c]pyridine;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 158335918
bis(5-chloro-2-methyl-1,3-benzoxazole);2,5-dimethyl-1,3-benzoxazole;2,5-dimethyl-3H-indole;1-fluoro-4-methylbenzene;bis(6-fluoro-2-methyl-1,3-benzothiazole);bis(6-fluoro-2-methyl-1,3-benzoxazole);2-methylnaphthalene;2-methyl-5-phenyl-1,3-benzoxazole;bis(2-methyl-5-pyridin-4-yl-2,3-dihydro-1,3-thiazole);2-methylsulfanyl-3H-pyrrolo[2,3-b]pyridine;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-4-(trifluoromethyl)pyrimidine
CID 158417103
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;methane;6-methoxy-2-methyl-3-propan-2-ylpyridine;2-methyl-7-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;3-propan-2-ylthieno[2,3-c]pyridine;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 167570207
3-chloro-5-methylpyridine;2,6-dimethylpyridazin-3-one;1,5-dimethylpyridin-2-one;3-fluoro-5-methylpyridine;6-methyl-1,3-benzothiazole;6-methyl-1,3-benzoxazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;6-methylimidazo[1,2-b]pyridazine;5-methyl-3H-indole;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methylnaphthalene;2-methyl-1,5-naphthyridine;3-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylpyrazine;3-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;3-methylpyrido[2,3-c]pyridazine;2-methylpyrido[3,2-d]pyrimidine;5-methylpyrimidine;6-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;6-methylquinoxaline;6-methyltetrazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;toluene
CID 157266785
1,2-Dimethyl-5-propan-2-ylbenzimidazole;ethane;1-methyl-5-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-1,3-benzothiazole;2-methyl-5-propan-2-yl-1,3-benzoxazole;1-methyl-6-propan-2-ylindole;2-methyl-6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1-benzothiophene;5-propan-2-yl-1,3-benzoxazole;7-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;3-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,6-naphthyridine;6-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;3-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157429059
methane;bis(5-propan-2-yl-2H-benzimidazole);6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-2,3-dihydro-1-benzothiophene;7-propan-2-yl-2,3-dihydroimidazo[1,2-a]pyridine;5-propan-2-yl-2,3-dihydro-1H-indene;bis(6-propan-2-ylimidazo[1,2-a]pyridine);6-propan-2-ylimidazo[1,2-b]pyridazine;5-propan-2-yl-2H-indole;2-propan-2-yl-1,6-naphthyridine;5-propan-2-ylpyrazolo[1,5-a]pyridine;5-propan-2-ylpyrazolo[1,5-a]pyrimidine;2-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 157445870
2-[4-[6,10-Bis(4-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1,3,5-triazin-2-yl]-1,10-phenanthroline;1-methyl-2-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(3-triphenylen-2-ylphenyl)benzimidazole;1-methyl-6-(4-triphenylen-2-ylphenyl)benzimidazole;6-(3-triphenylen-2-ylphenyl)-1,3-benzothiazole;2-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole;6-(3-triphenylen-2-ylphenyl)-1,3-benzoxazole
CID 157573076
4,7-di(propan-2-yl)-1,3-benzodithiole;bis(4,7-di(propan-2-yl)-1,3-benzothiazole);4,7-di(propan-2-yl)-1-benzothiophene;bis(4,7-di(propan-2-yl)-1,2-benzoxazole);bis(4,7-di(propan-2-yl)-1,3-benzoxazole);4,7-di(propan-2-yl)-1,3-dihydro-2-benzothiophene;bis(4,7-di(propan-2-yl)-2,3-dihydro-1-benzothiophene);4,7-di(propan-2-yl)-2,3-dihydro-1H-indene;4,7-di(propan-2-yl)-1,3-dihydroinden-2-imine;bis(4,7-di(propan-2-yl)-2,3-dihydro-1H-indole);4,7-di(propan-2-yl)-2,3-dihydro-1H-isoindole;bis(4,7-di(propan-2-yl)-3H-indol-2-amine);4,7-di(propan-2-yl)-3H-isoindol-1-amine;1,4-di(propan-2-yl)isoquinoline;bis(1,4-di(propan-2-yl)-2,7-naphthyridine);5,8-di(propan-2-yl)pyrido[3,4-d]pyrimidine;5,8-di(propan-2-yl)pyrido[4,3-d]pyrimidine
CID 157721410
2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1,6-dimethylindole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157730023
2-chloro-1,4-difluoro-3-methylbenzene;5,7-difluoro-6-methylquinoline;1,6-dimethylbenzimidazole;1,6-dimethylindole;1-fluoro-4-methylbenzene;7-fluoro-6-methylquinoline;6-methyl-1H-benzimidazole;6-methyl-1-benzofuran;6-methyl-1,3-benzothiazole;6-methyl-1-benzothiophene;6-methyl-1,3-benzoxazole;6-methyl-2,3-dihydro-1,4-benzodioxine;6-methylimidazo[1,2-a]pyridine;6-methylquinazoline;6-methylquinoline;6-methylquinoxaline
CID 157731390
6-[3-(1,3-Benzoxazol-6-yl)-5-fluoranthen-3-ylphenyl]-1,3-benzoxazole;6-(3-fluoranthen-3-ylphenyl)-1,3-benzothiazole;2-(3-fluoranthen-3-ylphenyl)-1,3-benzoxazole;2-(3-fluoranthen-3-ylphenyl)-1-methylbenzimidazole;2-(2-fluoranthen-3-ylpyrimidin-4-yl)-1,10-phenanthroline;6-(3-fluoranthen-3-yl-5-quinolin-6-ylphenyl)quinoline;2-(4-fluoranthen-3-yl-1,3,5-triazin-2-yl)-1,10-phenanthroline;1-methyl-2-[6-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]fluoranthen-8-yl]-2-pyridinyl]benzimidazole
CID 157766083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine?
The IUPAC name of 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine (CID 160874968) is 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine.
What is the SMILES notation for 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine?
The canonical SMILES for 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine is CC(C)c1ccc(F)nc1Cl.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2c(c1)CCC2.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2sccc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN(C)C2=O.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.CC(C)c1cncn1C.CC(C)c1csc2cnccc12.CCc1nc(F)ccc1C(C)C.CCc1ncccc1C(C)C.COc1ccc(C(C)C)c(C)n1.Cc1c(C(C)C)ccc(=O)n1C.Cc1ccc(C(C)C)c(C)n1.Cc1ccc(C(C)C)c(F)n1.Cc1nc2cccc(C(C)C)c2s1.Cc1nc2cccc(C(C)C)c2s1.Cc1ncoc1C(C)C.
What is the InChIKey of 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine?
The InChIKey is SMGRDIIZYBKKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.3C12H16.2C11H13NS.C11H15N.C11H12S.C10H14FN.2C10H16N2.2C10H15NO.4C10H11NS.2C10H15N.C9H12FN.C8H9ClFN.C7H12N2.C7H11NO/c1-9(2)10-5-4-6-12-11(10)7-8-14(3)13(12)15;1-9(2)11-7-3-5-10-6-4-8-12(10)11;2*1-9(2)11-7-6-10-4-3-5-12(10)8-11;2*1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-4-9-8(7(2)3)5-6-10(11)12-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-6-5-7-11-10(9)12(3)4;1-7(2)9-5-6-10(12-4)11-8(9)3;1-7(2)9-5-6-10(12)11(4)8(9)3;1-7(2)9-6-12-10-5-11-4-3-8(9)10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-4-3-5-9-10(8)11-6-12-9;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-7(2)10-6-5-8(3)11-9(10)4;1-4-10-9(8(2)3)6-5-7-11-10;1-6(2)8-5-4-7(3)11-9(8)10;1-5(2)6-3-4-7(10)11-8(6)9;1-6(2)7-4-8-5-9(7)3;1-5(2)7-6(3)8-4-9-7/h4-6,9H,7-8H2,1-3H3;3,5,7,9H,4,6,8H2,1-2H3;2*6-9H,3-5H2,1-2H3;2*4-7H,1-3H3;3-5,8,12H,6-7H2,1-2H3;3-8H,1-2H3;5-7H,4H2,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;4*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine?
2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine has a molecular weight of 3814.14 g/mol, XLogP of 66.95, 28 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-3-propan-2-ylpyridine;N,N-dimethyl-3-propan-2-ylpyridin-2-amine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2,6-dimethyl-3-propan-2-ylpyridine;1,6-dimethyl-5-propan-2-ylpyridin-2-one;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;6-methoxy-2-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-5-propan-2-ylimidazole;4-methyl-5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1-benzothiophene;4-propan-2-yl-2,3-dihydro-1H-indene;bis(5-propan-2-yl-2,3-dihydro-1H-indene);4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine is sourced from PubChem (CID 160874968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).