1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

C166H151Br3Cl12F33N25O23S3 — CID 158230359

IUPAC1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)OC(=O)c1cnc(Cl)c(C=O)c1Cl.CC(C)(C)OC(=O)c1cnc(Cl)cc1Cl.CC(C)=CC(=O)Cl.CCO/C=C/c1c(C)cc(C(F)(F)F)nc1N.Cc1c(Br)c(N)nc(C(F)(F)F)c1Br.Cc1cc(C(F)(F)F)[nH]c(=O)c1.Cc1cc(C(F)(F)F)nc(N)c1Br.Cc1cc(C(F)(F)F)nc2[nH]ccc12.Cc1cc(C(F)(F)F)nc2c1cc(C(O)c1c(Cl)ncc(C(=O)OC(C)(C)C)c1Cl)n2S(=O)(=O)c1ccccc1.Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)OC(C)(C)C)c1Cl)n2S(=O)(=O)c1ccccc1.Cc1cc(C(F)(F)F)nc2c1ccn2S(=O)(=O)c1ccccc1.Cc1cc(Cl)nc(C(F)(F)F)c1.Cc1cc(N)nc(C(F)(F)F)c1.Cc1cc(NC(=O)OC(C)(C)C)nc(C(F)(F)F)c1.O=C(O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C26H22Cl2F3N3O5S.C26H22Cl2F3N3O4S.C15H11F3N2O2S.C12H15F3N2O2.C11H11Cl2NO3.C11H13F3N2O.C10H11Cl2NO2.C9H7F3N2.C7H5Br2F3N2.C7H6BrF3N2.C7H5ClF3N.C7H7F3N2.C7H6F3NO.C6H3Cl2NO2.C5H7ClO/c1-13-10-18(26(29,30)31)33-23-15(13)11-17(34(23)40(37,38)14-8-6-5-7-9-14)21(35)19-20(27)16(12-32-22(19)28)24(36)39-25(2,3)4;1-14-10-20(26(29,30)31)33-23-17(14)11-15(34(23)39(36,37)16-8-6-5-7-9-16)12-18-21(27)19(13-32-22(18)28)24(35)38-25(2,3)4;1-10-9-13(15(16,17)18)19-14-12(10)7-8-20(14)23(21,22)11-5-3-2-4-6-11;1-7-5-8(12(13,14)15)16-9(6-7)17-10(18)19-11(2,3)4;1-11(2,3)17-10(16)6-4-14-9(13)7(5-15)8(6)12;1-3-17-5-4-8-7(2)6-9(11(12,13)14)16-10(8)15;1-10(2,3)15-9(14)6-5-13-8(12)4-7(6)11;1-5-4-7(9(10,11)12)14-8-6(5)2-3-13-8;1-2-3(8)5(7(10,11)12)14-6(13)4(2)9;1-3-2-4(7(9,10)11)13-6(12)5(3)8;1-4-2-5(7(9,10)11)12-6(8)3-4;1-4-2-5(7(8,9)10)12-6(11)3-4;1-4-2-5(7(8,9)10)11-6(12)3-4;7-4-1-5(8)9-2-3(4)6(10)11;1-4(2)3-5(6)7/h5-12,21,35H,1-4H3;5-11,13H,12H2,1-4H3;2-9H,1H3;5-6H,1-4H3,(H,16,17,18);4-5H,1-3H3;4-6H,3H2,1-2H3,(H2,15,16);4-5H,1-3H3;2-4H,1H3,(H,13,14);1H3,(H2,13,14);2H,1H3,(H2,12,13);2-3H,1H3;2-3H,1H3,(H2,11,12);2-3H,1H3,(H,11,12);1-2H,(H,10,11);3H,1-2H3/b;;;;;5-4+;;;;;;;;;
InChIKeyGEHNFAHTGANNJH-SKMUZBERSA-N
MW4252.47 g/mol
LogP49.76
Rot. Bonds21

About 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 158230359) has the molecular formula C166H151Br3Cl12F33N25O23S3 and a molecular weight of 4252.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID158230359
Molecular FormulaC166H151Br3Cl12F33N25O23S3
Molecular Weight4252.47 g/mol
Exact Mass4241.39
IUPAC Name1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)(C)OC(=O)c1cnc(Cl)c(C=O)c1Cl.CC(C)(C)OC(=O)c1cnc(Cl)cc1Cl.CC(C)=CC(=O)Cl.CCO/C=C/c1c(C)cc(C(F)(F)F)nc1N.Cc1c(Br)c(N)nc(C(F)(F)F)c1Br.Cc1cc(C(F)(F)F)[nH]c(=O)c1.Cc1cc(C(F)(F)F)nc(N)c1Br.Cc1cc(C(F)(F)F)nc2[nH]ccc12.Cc1cc(C(F)(F)F)nc2c1cc(C(O)c1c(Cl)ncc(C(=O)OC(C)(C)C)c1Cl)n2S(=O)(=O)c1ccccc1.Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)OC(C)(C)C)c1Cl)n2S(=O)(=O)c1ccccc1.Cc1cc(C(F)(F)F)nc2c1ccn2S(=O)(=O)c1ccccc1.Cc1cc(Cl)nc(C(F)(F)F)c1.Cc1cc(N)nc(C(F)(F)F)c1.Cc1cc(NC(=O)OC(C)(C)C)nc(C(F)(F)F)c1.O=C(O)c1cnc(Cl)cc1Cl
InChIInChI=1S/C26H22Cl2F3N3O5S.C26H22Cl2F3N3O4S.C15H11F3N2O2S.C12H15F3N2O2.C11H11Cl2NO3.C11H13F3N2O.C10H11Cl2NO2.C9H7F3N2.C7H5Br2F3N2.C7H6BrF3N2.C7H5ClF3N.C7H7F3N2.C7H6F3NO.C6H3Cl2NO2.C5H7ClO/c1-13-10-18(26(29,30)31)33-23-15(13)11-17(34(23)40(37,38)14-8-6-5-7-9-14)21(35)19-20(27)16(12-32-22(19)28)24(36)39-25(2,3)4;1-14-10-20(26(29,30)31)33-23-17(14)11-15(34(23)39(36,37)16-8-6-5-7-9-16)12-18-21(27)19(13-32-22(18)28)24(35)38-25(2,3)4;1-10-9-13(15(16,17)18)19-14-12(10)7-8-20(14)23(21,22)11-5-3-2-4-6-11;1-7-5-8(12(13,14)15)16-9(6-7)17-10(18)19-11(2,3)4;1-11(2,3)17-10(16)6-4-14-9(13)7(5-15)8(6)12;1-3-17-5-4-8-7(2)6-9(11(12,13)14)16-10(8)15;1-10(2,3)15-9(14)6-5-13-8(12)4-7(6)11;1-5-4-7(9(10,11)12)14-8-6(5)2-3-13-8;1-2-3(8)5(7(10,11)12)14-6(13)4(2)9;1-3-2-4(7(9,10)11)13-6(12)5(3)8;1-4-2-5(7(9,10)11)12-6(8)3-4;1-4-2-5(7(8,9)10)12-6(11)3-4;1-4-2-5(7(8,9)10)11-6(12)3-4;7-4-1-5(8)9-2-3(4)6(10)11;1-4(2)3-5(6)7/h5-12,21,35H,1-4H3;5-11,13H,12H2,1-4H3;2-9H,1H3;5-6H,1-4H3,(H,16,17,18);4-5H,1-3H3;4-6H,3H2,1-2H3,(H2,15,16);4-5H,1-3H3;2-4H,1H3,(H,13,14);1H3,(H2,13,14);2H,1H3,(H2,12,13);2-3H,1H3;2-3H,1H3,(H2,11,12);2-3H,1H3,(H,11,12);1-2H,(H,10,11);3H,1-2H3/b;;;;;5-4+;;;;;;;;;
InChIKeyGEHNFAHTGANNJH-SKMUZBERSA-N
XLogP49.76
TPSA707.72 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds21
Heavy Atoms265
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004252.47
LogP ≤ 549.76
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Analyze 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CID 158230359) is 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is CC(C)(C)OC(=O)c1cnc(Cl)c(C=O)c1Cl.CC(C)(C)OC(=O)c1cnc(Cl)cc1Cl.CC(C)=CC(=O)Cl.CCO/C=C/c1c(C)cc(C(F)(F)F)nc1N.Cc1c(Br)c(N)nc(C(F)(F)F)c1Br.Cc1cc(C(F)(F)F)[nH]c(=O)c1.Cc1cc(C(F)(F)F)nc(N)c1Br.Cc1cc(C(F)(F)F)nc2[nH]ccc12.Cc1cc(C(F)(F)F)nc2c1cc(C(O)c1c(Cl)ncc(C(=O)OC(C)(C)C)c1Cl)n2S(=O)(=O)c1ccccc1.Cc1cc(C(F)(F)F)nc2c1cc(Cc1c(Cl)ncc(C(=O)OC(C)(C)C)c1Cl)n2S(=O)(=O)c1ccccc1.Cc1cc(C(F)(F)F)nc2c1ccn2S(=O)(=O)c1ccccc1.Cc1cc(Cl)nc(C(F)(F)F)c1.Cc1cc(N)nc(C(F)(F)F)c1.Cc1cc(NC(=O)OC(C)(C)C)nc(C(F)(F)F)c1.O=C(O)c1cnc(Cl)cc1Cl.
What is the InChIKey of 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GEHNFAHTGANNJH-SKMUZBERSA-N. The full InChI is InChI=1S/C26H22Cl2F3N3O5S.C26H22Cl2F3N3O4S.C15H11F3N2O2S.C12H15F3N2O2.C11H11Cl2NO3.C11H13F3N2O.C10H11Cl2NO2.C9H7F3N2.C7H5Br2F3N2.C7H6BrF3N2.C7H5ClF3N.C7H7F3N2.C7H6F3NO.C6H3Cl2NO2.C5H7ClO/c1-13-10-18(26(29,30)31)33-23-15(13)11-17(34(23)40(37,38)14-8-6-5-7-9-14)21(35)19-20(27)16(12-32-22(19)28)24(36)39-25(2,3)4;1-14-10-20(26(29,30)31)33-23-17(14)11-15(34(23)39(36,37)16-8-6-5-7-9-16)12-18-21(27)19(13-32-22(18)28)24(35)38-25(2,3)4;1-10-9-13(15(16,17)18)19-14-12(10)7-8-20(14)23(21,22)11-5-3-2-4-6-11;1-7-5-8(12(13,14)15)16-9(6-7)17-10(18)19-11(2,3)4;1-11(2,3)17-10(16)6-4-14-9(13)7(5-15)8(6)12;1-3-17-5-4-8-7(2)6-9(11(12,13)14)16-10(8)15;1-10(2,3)15-9(14)6-5-13-8(12)4-7(6)11;1-5-4-7(9(10,11)12)14-8-6(5)2-3-13-8;1-2-3(8)5(7(10,11)12)14-6(13)4(2)9;1-3-2-4(7(9,10)11)13-6(12)5(3)8;1-4-2-5(7(9,10)11)12-6(8)3-4;1-4-2-5(7(8,9)10)12-6(11)3-4;1-4-2-5(7(8,9)10)11-6(12)3-4;7-4-1-5(8)9-2-3(4)6(10)11;1-4(2)3-5(6)7/h5-12,21,35H,1-4H3;5-11,13H,12H2,1-4H3;2-9H,1H3;5-6H,1-4H3,(H,16,17,18);4-5H,1-3H3;4-6H,3H2,1-2H3,(H2,15,16);4-5H,1-3H3;2-4H,1H3,(H,13,14);1H3,(H2,13,14);2H,1H3,(H2,12,13);2-3H,1H3;2-3H,1H3,(H2,11,12);2-3H,1H3,(H,11,12);1-2H,(H,10,11);3H,1-2H3/b;;;;;5-4+;;;;;;;;;.
What are the key properties of 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 4252.47 g/mol, XLogP of 49.76, 21 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridine;3-bromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]-hydroxymethyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 5-[[1-(benzenesulfonyl)-4-methyl-6-(trifluoromethyl)pyrrolo[2,3-b]pyridin-2-yl]methyl]-4,6-dichloropyridine-3-carboxylate;tert-butyl 4,6-dichloro-5-formylpyridine-3-carboxylate;tert-butyl 4,6-dichloropyridine-3-carboxylate;tert-butyl N-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamate;2-chloro-4-methyl-6-(trifluoromethyl)pyridine;3,5-dibromo-4-methyl-6-(trifluoromethyl)pyridin-2-amine;4,6-dichloropyridine-3-carboxylic acid;3-[(E)-2-ethoxyethenyl]-4-methyl-6-(trifluoromethyl)pyridin-2-amine;3-methylbut-2-enoyl chloride;4-methyl-6-(trifluoromethyl)pyridin-2-amine;4-methyl-6-(trifluoromethyl)-1H-pyridin-2-one;4-methyl-6-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 158230359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).