2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide

C109H175BrClFN14O11S3 — CID 167591421

IUPAC2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide
SMILESCC(C)(C)OC(=O)N1C[C@@H](CCC(N)c2cc(C(C)(C)C)ccn2)CC1(C)C.CC(C)(C)OC(=O)N1C[C@@H](CCC(NS(=O)C(C)(C)C)c2cc(C(C)(C)C)ccn2)CC1(C)C.CC(C)(C)OC(=O)N1C[C@@H](CCC=NS(=O)C(C)(C)C)CC1(C)C.CC(C)(C)c1cc[n+]([O-])cc1.CC(C)(C)c1ccnc(Br)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccncc1.NS(=O)(=O)c1cccc(F)n1
InChIInChI=1S/C27H47N3O3S.C23H39N3O2.C18H34N2O3S.C9H12BrN.C9H12ClN.C9H13NO.C9H13N.C5H5FN2O2S/c1-24(2,3)20-14-15-28-22(16-20)21(29-34(32)26(7,8)9)13-12-19-17-27(10,11)30(18-19)23(31)33-25(4,5)6;1-21(2,3)17-11-12-25-19(13-17)18(24)10-9-16-14-23(7,8)26(15-16)20(27)28-22(4,5)6;1-16(2,3)23-15(21)20-13-14(12-18(20,7)8)10-9-11-19-24(22)17(4,5)6;2*1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-4-6-10(11)7-5-8;1-9(2,3)8-4-6-10-7-5-8;6-4-2-1-3-5(8-4)11(7,9)10/h14-16,19,21,29H,12-13,17-18H2,1-11H3;11-13,16,18H,9-10,14-15,24H2,1-8H3;11,14H,9-10,12-13H2,1-8H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;1-3H,(H2,7,9,10)/t19-,21?,34?;16-,18?;14-,24?;;;;;/m000...../s1
InChIKeyIMHMKQPYUWJYGV-VMIUMEPISA-N
MW2088.24 g/mol
LogP25.86
Rot. Bonds15

About 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide

2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide (PubChem CID 167591421) has the molecular formula C109H175BrClFN14O11S3 and a molecular weight of 2088.24 g/mol. Its IUPAC name is 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound Name2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide
PubChem CID167591421
Molecular FormulaC109H175BrClFN14O11S3
Molecular Weight2088.24 g/mol
Exact Mass2085.16
IUPAC Name2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide
SMILESCC(C)(C)OC(=O)N1C[C@@H](CCC(N)c2cc(C(C)(C)C)ccn2)CC1(C)C.CC(C)(C)OC(=O)N1C[C@@H](CCC(NS(=O)C(C)(C)C)c2cc(C(C)(C)C)ccn2)CC1(C)C.CC(C)(C)OC(=O)N1C[C@@H](CCC=NS(=O)C(C)(C)C)CC1(C)C.CC(C)(C)c1cc[n+]([O-])cc1.CC(C)(C)c1ccnc(Br)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccncc1.NS(=O)(=O)c1cccc(F)n1
InChIInChI=1S/C27H47N3O3S.C23H39N3O2.C18H34N2O3S.C9H12BrN.C9H12ClN.C9H13NO.C9H13N.C5H5FN2O2S/c1-24(2,3)20-14-15-28-22(16-20)21(29-34(32)26(7,8)9)13-12-19-17-27(10,11)30(18-19)23(31)33-25(4,5)6;1-21(2,3)17-11-12-25-19(13-17)18(24)10-9-16-14-23(7,8)26(15-16)20(27)28-22(4,5)6;1-16(2,3)23-15(21)20-13-14(12-18(20,7)8)10-9-11-19-24(22)17(4,5)6;2*1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-4-6-10(11)7-5-8;1-9(2,3)8-4-6-10-7-5-8;6-4-2-1-3-5(8-4)11(7,9)10/h14-16,19,21,29H,12-13,17-18H2,1-11H3;11-13,16,18H,9-10,14-15,24H2,1-8H3;11,14H,9-10,12-13H2,1-8H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;1-3H,(H2,7,9,10)/t19-,21?,34?;16-,18?;14-,24?;;;;;/m000...../s1
InChIKeyIMHMKQPYUWJYGV-VMIUMEPISA-N
XLogP25.86
TPSA337.61 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002088.24
LogP ≤ 525.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 167605202
tert-butyl (4S)-4-[3-amino-3-(6-bromo-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(6-bromo-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;2,6-dibromopyridine
CID 167684511
2-bromo-6-(trifluoromethyl)pyridine;tert-butyl (4S)-4-[3-(tert-butylsulfinylamino)-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 167601094
2-bromo-5-tert-butylpyridine;tert-butyl N-(5-bromo-2-pyridinyl)carbamate;tert-butyl (4S)-4-[3-(5-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl N-(5-tert-butyl-2-pyridinyl)carbamate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;5-tert-butylpyridin-2-amine
CID 167623617
tert-butyl (4S)-4-[3-[[(S)-tert-butylsulfinyl]amino]-3-pyridin-2-ylpropyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 156639202
tert-butyl 4-(4-aminobutyl)-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl 2,2-dimethyl-4-[4-[(6-sulfamoyl-2-pyridinyl)amino]butyl]pyrrolidine-1-carboxylate;6-fluoropyridine-2-sulfonamide
CID 158303204
tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-[[6-[(2-chloro-8-methylquinoline-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]-2,2-dimethylpyrrolidine-1-carboxylate;2-chloro-8-methylquinoline-3-carboxylic acid
CID 167564357
tert-butyl (4S)-4-(2-amino-2-phenylethyl)-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-[2-phenyl-2-[(6-sulfamoyl-2-pyridinyl)amino]ethyl]pyrrolidine-1-carboxylate;6-fluoropyridine-2-sulfonamide
CID 167569004
tert-butyl (4S)-2,2-dimethyl-4-[2-[(6-sulfamoyl-2-pyridinyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 139416333
3-benzyl-2,6-difluoropyridine;5-benzyl-2,6-difluoropyridine-3-carboxylic acid;tert-butyl (4S)-4-[3-[[6-[(5-benzyl-2,6-difluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;6-[[1-(4-tert-butyl-2-pyridinyl)-3-[(1S)-3,3-dimethylcyclopentyl]propyl]amino]pyridine-2-sulfonamide;chloromethylbenzene;(2,6-difluoro-3-pyridinyl)boronic acid
CID 167572841
tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-2,2-dimethyl-4-(3-oxopropyl)pyrrolidine-1-carboxylate;(S)-2-methylpropane-2-sulfinamide
CID 167641654
CID 156639620
CID 156639620

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide?
The IUPAC name of 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide (CID 167591421) is 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide.
What is the SMILES notation for 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide?
The canonical SMILES for 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide is CC(C)(C)OC(=O)N1C[C@@H](CCC(N)c2cc(C(C)(C)C)ccn2)CC1(C)C.CC(C)(C)OC(=O)N1C[C@@H](CCC(NS(=O)C(C)(C)C)c2cc(C(C)(C)C)ccn2)CC1(C)C.CC(C)(C)OC(=O)N1C[C@@H](CCC=NS(=O)C(C)(C)C)CC1(C)C.CC(C)(C)c1cc[n+]([O-])cc1.CC(C)(C)c1ccnc(Br)c1.CC(C)(C)c1ccnc(Cl)c1.CC(C)(C)c1ccncc1.NS(=O)(=O)c1cccc(F)n1.
What is the InChIKey of 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide?
The InChIKey is IMHMKQPYUWJYGV-VMIUMEPISA-N. The full InChI is InChI=1S/C27H47N3O3S.C23H39N3O2.C18H34N2O3S.C9H12BrN.C9H12ClN.C9H13NO.C9H13N.C5H5FN2O2S/c1-24(2,3)20-14-15-28-22(16-20)21(29-34(32)26(7,8)9)13-12-19-17-27(10,11)30(18-19)23(31)33-25(4,5)6;1-21(2,3)17-11-12-25-19(13-17)18(24)10-9-16-14-23(7,8)26(15-16)20(27)28-22(4,5)6;1-16(2,3)23-15(21)20-13-14(12-18(20,7)8)10-9-11-19-24(22)17(4,5)6;2*1-9(2,3)7-4-5-11-8(10)6-7;1-9(2,3)8-4-6-10(11)7-5-8;1-9(2,3)8-4-6-10-7-5-8;6-4-2-1-3-5(8-4)11(7,9)10/h14-16,19,21,29H,12-13,17-18H2,1-11H3;11-13,16,18H,9-10,14-15,24H2,1-8H3;11,14H,9-10,12-13H2,1-8H3;2*4-6H,1-3H3;4-7H,1-3H3;4-7H,1-3H3;1-3H,(H2,7,9,10)/t19-,21?,34?;16-,18?;14-,24?;;;;;/m000...../s1.
What are the key properties of 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide?
2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide has a molecular weight of 2088.24 g/mol, XLogP of 25.86, 15 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butylpyridine;tert-butyl (4S)-4-[3-amino-3-(4-tert-butyl-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-[3-(4-tert-butyl-2-pyridinyl)-3-(tert-butylsulfinylamino)propyl]-2,2-dimethylpyrrolidine-1-carboxylate;tert-butyl (4S)-4-(3-tert-butylsulfinyliminopropyl)-2,2-dimethylpyrrolidine-1-carboxylate;4-tert-butyl-2-chloropyridine;4-tert-butyl-1-oxidopyridin-1-ium;4-tert-butylpyridine;6-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 167591421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).