2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine

C224H267BrF29N21O11 — CID 161027353

IUPAC2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(-c2cc[nH]c(=O)c2)c1.CC(C)c1cccc(-c2ccn(C(F)F)c(=O)c2)c1.CC(C)c1cccc(-c2ccn(C)c(=O)c2)c1.CC(C)c1cccc(-c2ccn(CC(F)(F)F)c(=O)c2)c1.CC(C)c1cccc(-n2cnnc2)c1.CC(C)c1cccc(/C=C/C(N)=O)c1.CC(C)c1cccc(Br)n1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(CCC(N)=O)c1.CC(C)c1cccnc1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1cnccn1.CC(C)n1cnnn1.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C16H16F3NO.C15H15F2NO.C15H17NO.C14H19NO2.C14H15NO.C12H17NO.C12H15NO.C11H13F3O.C11H13F3.C11H13N3.C11H14O.3C10H10F4.2C9H10F3N.C8H10BrN.C8H11N.C7H10N2.C7H11NO.C4H8N4/c1-11(2)12-4-3-5-13(8-12)14-6-7-20(15(21)9-14)10-16(17,18)19;1-10(2)11-4-3-5-12(8-11)13-6-7-18(15(16)17)14(19)9-13;1-11(2)12-5-4-6-13(9-12)14-7-8-16(3)15(17)10-14;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-10(2)11-4-3-5-12(8-11)13-6-7-15-14(16)9-13;2*1-9(2)11-5-3-4-10(8-11)6-7-12(13)14;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-9(2)10-4-3-5-11(6-10)14-7-12-13-8-14;1-8(2)10-5-4-6-11(7-10)9(3)12;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)8-3-5-6-7-8/h3-9,11H,10H2,1-2H3;3-10,15H,1-2H3;4-11H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-10H,1-2H3,(H,15,16);3-5,8-9H,6-7H2,1-2H3,(H2,13,14);3-9H,1-2H3,(H2,13,14);4-7H,1-3H3;4-7H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-4H,1-2H3/b;;;;;;7-6+;;;;;;;;;;;;;;
InChIKeyTZDWEBKHAWJSMB-KOYLBIGCSA-N
MW4060.58 g/mol
LogP62.26
Rot. Bonds36

About 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine

2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine (PubChem CID 161027353) has the molecular formula C224H267BrF29N21O11 and a molecular weight of 4060.58 g/mol. Its IUPAC name is 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
PubChem CID161027353
Molecular FormulaC224H267BrF29N21O11
Molecular Weight4060.58 g/mol
Exact Mass4056.97
IUPAC Name2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine
SMILESCC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(-c2cc[nH]c(=O)c2)c1.CC(C)c1cccc(-c2ccn(C(F)F)c(=O)c2)c1.CC(C)c1cccc(-c2ccn(C)c(=O)c2)c1.CC(C)c1cccc(-c2ccn(CC(F)(F)F)c(=O)c2)c1.CC(C)c1cccc(-n2cnnc2)c1.CC(C)c1cccc(/C=C/C(N)=O)c1.CC(C)c1cccc(Br)n1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(CCC(N)=O)c1.CC(C)c1cccnc1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1cnccn1.CC(C)n1cnnn1.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C16H16F3NO.C15H15F2NO.C15H17NO.C14H19NO2.C14H15NO.C12H17NO.C12H15NO.C11H13F3O.C11H13F3.C11H13N3.C11H14O.3C10H10F4.2C9H10F3N.C8H10BrN.C8H11N.C7H10N2.C7H11NO.C4H8N4/c1-11(2)12-4-3-5-13(8-12)14-6-7-20(15(21)9-14)10-16(17,18)19;1-10(2)11-4-3-5-12(8-11)13-6-7-18(15(16)17)14(19)9-13;1-11(2)12-5-4-6-13(9-12)14-7-8-16(3)15(17)10-14;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-10(2)11-4-3-5-12(8-11)13-6-7-15-14(16)9-13;2*1-9(2)11-5-3-4-10(8-11)6-7-12(13)14;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-9(2)10-4-3-5-11(6-10)14-7-12-13-8-14;1-8(2)10-5-4-6-11(7-10)9(3)12;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)8-3-5-6-7-8/h3-9,11H,10H2,1-2H3;3-10,15H,1-2H3;4-11H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-10H,1-2H3,(H,15,16);3-5,8-9H,6-7H2,1-2H3,(H2,13,14);3-9H,1-2H3,(H2,13,14);4-7H,1-3H3;4-7H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-4H,1-2H3/b;;;;;;7-6+;;;;;;;;;;;;;;
InChIKeyTZDWEBKHAWJSMB-KOYLBIGCSA-N
XLogP62.26
TPSA418.56 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004060.58
LogP ≤ 562.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine (CID 161027353) is 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine is CC(=O)c1cccc(C(C)C)c1.CC(C)c1cc(F)cc(C(F)(F)F)c1.CC(C)c1ccc(F)c(C(F)(F)F)c1.CC(C)c1cccc(-c2cc[nH]c(=O)c2)c1.CC(C)c1cccc(-c2ccn(C(F)F)c(=O)c2)c1.CC(C)c1cccc(-c2ccn(C)c(=O)c2)c1.CC(C)c1cccc(-c2ccn(CC(F)(F)F)c(=O)c2)c1.CC(C)c1cccc(-n2cnnc2)c1.CC(C)c1cccc(/C=C/C(N)=O)c1.CC(C)c1cccc(Br)n1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.CC(C)c1cccc(C(F)(F)F)c1F.CC(C)c1cccc(C(F)(F)F)n1.CC(C)c1cccc(CCC(N)=O)c1.CC(C)c1cccnc1.CC(C)c1cncc(C(F)(F)F)c1.CC(C)c1cnccn1.CC(C)n1cnnn1.COc1ccc(C(C)C)cc1C(F)(F)F.Cc1cc(C(C)C)no1.Cc1ccc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
The InChIKey is TZDWEBKHAWJSMB-KOYLBIGCSA-N. The full InChI is InChI=1S/C16H16F3NO.C15H15F2NO.C15H17NO.C14H19NO2.C14H15NO.C12H17NO.C12H15NO.C11H13F3O.C11H13F3.C11H13N3.C11H14O.3C10H10F4.2C9H10F3N.C8H10BrN.C8H11N.C7H10N2.C7H11NO.C4H8N4/c1-11(2)12-4-3-5-13(8-12)14-6-7-20(15(21)9-14)10-16(17,18)19;1-10(2)11-4-3-5-12(8-11)13-6-7-18(15(16)17)14(19)9-13;1-11(2)12-5-4-6-13(9-12)14-7-8-16(3)15(17)10-14;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-10(2)11-4-3-5-12(8-11)13-6-7-15-14(16)9-13;2*1-9(2)11-5-3-4-10(8-11)6-7-12(13)14;1-7(2)8-4-5-10(15-3)9(6-8)11(12,13)14;1-7(2)9-5-4-8(3)10(6-9)11(12,13)14;1-9(2)10-4-3-5-11(6-10)14-7-12-13-8-14;1-8(2)10-5-4-6-11(7-10)9(3)12;1-6(2)7-3-8(10(12,13)14)5-9(11)4-7;1-6(2)7-3-4-9(11)8(5-7)10(12,13)14;1-6(2)7-4-3-5-8(9(7)11)10(12,13)14;1-6(2)7-3-8(5-13-4-7)9(10,11)12;1-6(2)7-4-3-5-8(13-7)9(10,11)12;1-6(2)7-4-3-5-8(9)10-7;1-7(2)8-4-3-5-9-6-8;1-6(2)7-5-8-3-4-9-7;1-5(2)7-4-6(3)9-8-7;1-4(2)8-3-5-6-7-8/h3-9,11H,10H2,1-2H3;3-10,15H,1-2H3;4-11H,1-3H3;3-5,10-11H,6-9H2,1-2H3;3-10H,1-2H3,(H,15,16);3-5,8-9H,6-7H2,1-2H3,(H2,13,14);3-9H,1-2H3,(H2,13,14);4-7H,1-3H3;4-7H,1-3H3;3-9H,1-2H3;4-8H,1-3H3;3*3-6H,1-2H3;2*3-6H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4-5H,1-3H3;3-4H,1-2H3/b;;;;;;7-6+;;;;;;;;;;;;;;.
What are the key properties of 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine?
2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine has a molecular weight of 4060.58 g/mol, XLogP of 62.26, 36 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-propan-2-ylpyridine;1-(difluoromethyl)-4-(3-propan-2-ylphenyl)pyridin-2-one;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-fluoro-4-propan-2-yl-2-(trifluoromethyl)benzene;2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene;1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene;5-methyl-3-propan-2-yl-1,2-oxazole;1-methyl-4-(3-propan-2-ylphenyl)pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;1-(3-propan-2-ylphenyl)ethanone;3-(3-propan-2-ylphenyl)propanamide;(E)-3-(3-propan-2-ylphenyl)prop-2-enamide;4-(3-propan-2-ylphenyl)-1H-pyridin-2-one;4-(3-propan-2-ylphenyl)-1,2,4-triazole;4-(3-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)pyridin-2-one;2-propan-2-ylpyrazine;3-propan-2-ylpyridine;1-propan-2-yltetrazole;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 161027353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).