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);4-propan-2-yl-1,3-benzothiazole;5-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

C217H283ClF3N19O2S8 — CID 161193476

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);4-propan-2-yl-1,3-benzothiazole;5-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)c1ccc2scnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.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
InChIInChI=1S/3C12H16.2C11H13NS.C11H15N.C11H12S.C10H14FN.2C10H16N2.2C10H15NO.5C10H11NS.2C10H15N.C9H12FN.C8H9ClFN/c1-9(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)8-3-4-10-9(5-8)11-6-12-10;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/h3,5,7,9H,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;5*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3
InChIKeyUUAMIZFLPDYQLR-UHFFFAOYSA-N
MW3538.76 g/mol
LogP64.28
Rot. Bonds26

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);4-propan-2-yl-1,3-benzothiazole;5-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);4-propan-2-yl-1,3-benzothiazole;5-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 161193476) has the molecular formula C217H283ClF3N19O2S8 and a molecular weight of 3538.76 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);4-propan-2-yl-1,3-benzothiazole;5-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);4-propan-2-yl-1,3-benzothiazole;5-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 CID161193476
Molecular FormulaC217H283ClF3N19O2S8
Molecular Weight3538.76 g/mol
Exact Mass3535.00
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);4-propan-2-yl-1,3-benzothiazole;5-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)c1ccc2scnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.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
InChIInChI=1S/3C12H16.2C11H13NS.C11H15N.C11H12S.C10H14FN.2C10H16N2.2C10H15NO.5C10H11NS.2C10H15N.C9H12FN.C8H9ClFN/c1-9(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)8-3-4-10-9(5-8)11-6-12-10;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/h3,5,7,9H,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;5*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3
InChIKeyUUAMIZFLPDYQLR-UHFFFAOYSA-N
XLogP64.28
TPSA243.09 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003538.76
LogP ≤ 564.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

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);4-propan-2-yl-1,3-benzothiazole;5-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
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;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);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
CID 158245412
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;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-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;bis(5-propan-2-yl-2,3-dihydro-1H-indene);7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;4-propan-2-yl-2,3-dihydro-1H-isoindole;4-propan-2-yl-2,3-dihydroisoindol-1-one
CID 159098519
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
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;2-ethyl-6-fluoro-3-propan-2-ylpyridine;2-ethyl-3-propan-2-ylpyridine;2-fluoro-6-methyl-3-propan-2-ylpyridine;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);4-propan-2-yl-1,3-benzothiazole;5-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
CID 160904512
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;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);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 161602376
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;bis(2-methyl-7-propan-2-yl-1,3-benzothiazole);2-methyl-4-propan-2-yl-3H-isoindol-1-one;4-propan-2-yl-1,3-benzothiazole;5-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-dihydroinden-1-one;7-propan-2-yl-2,3-dihydroinden-1-one;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylthieno[2,3-c]pyridine
CID 167609912

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);4-propan-2-yl-1,3-benzothiazole;5-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);4-propan-2-yl-1,3-benzothiazole;5-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 161193476) 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);4-propan-2-yl-1,3-benzothiazole;5-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);4-propan-2-yl-1,3-benzothiazole;5-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);4-propan-2-yl-1,3-benzothiazole;5-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)c1ccc2scnc2c1.CC(C)c1cccc2c1CCC2.CC(C)c1cccc2c1CCN2.CC(C)c1cccc2ncsc12.CC(C)c1cccc2scnc12.CC(C)c1cccnc1N(C)C.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.
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);4-propan-2-yl-1,3-benzothiazole;5-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 UUAMIZFLPDYQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H16.2C11H13NS.C11H15N.C11H12S.C10H14FN.2C10H16N2.2C10H15NO.5C10H11NS.2C10H15N.C9H12FN.C8H9ClFN/c1-9(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)8-3-4-10-9(5-8)11-6-12-10;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/h3,5,7,9H,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;5*3-7H,1-2H3;5-7H,1-4H3;5-8H,4H2,1-3H3;4-6H,1-3H3;3-5H,1-2H3.
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);4-propan-2-yl-1,3-benzothiazole;5-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);4-propan-2-yl-1,3-benzothiazole;5-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 3538.76 g/mol, XLogP of 64.28, 26 rotatable bonds, 1 hydrogen bond donors, and 29 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);4-propan-2-yl-1,3-benzothiazole;5-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 161193476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).