6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile

C72H71BBr3ClN16O10S4 — CID 158407060

IUPAC6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile
SMILESCC1(C)OB(c2cnc3[nH]c(-c4ccccc4)cc3c2)OC1(C)C.N#CC1CCN(S(=O)(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)C1.N#CC1CCN(S(=O)(=O)c2cccc(Br)n2)C1.N#CC1CCN(S(=O)(=O)c2cccc(Br)n2)C1.N#CC1CCNC1.O=S(=O)(Cl)c1cccc(Br)n1
InChIInChI=1S/C23H19N5O2S.C19H21BN2O2.2C10H10BrN3O2S.C5H3BrClNO2S.C5H8N2/c24-13-16-9-10-28(15-16)31(29,30)22-8-4-7-20(26-22)19-11-18-12-21(27-23(18)25-14-19)17-5-2-1-3-6-17;1-18(2)19(3,4)24-20(23-18)15-10-14-11-16(22-17(14)21-12-15)13-8-6-5-7-9-13;2*11-9-2-1-3-10(13-9)17(15,16)14-5-4-8(6-12)7-14;6-4-2-1-3-5(8-4)11(7,9)10;6-3-5-1-2-7-4-5/h1-8,11-12,14,16H,9-10,15H2,(H,25,27);5-12H,1-4H3,(H,21,22);2*1-3,8H,4-5,7H2;1-3H;5,7H,1-2,4H2
InChIKeyGYVGUVHUSXEWML-UHFFFAOYSA-N
MW1734.71 g/mol
LogP12.00
Rot. Bonds11

About 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile

6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile (PubChem CID 158407060) has the molecular formula C72H71BBr3ClN16O10S4 and a molecular weight of 1734.71 g/mol. Its IUPAC name is 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile
PubChem CID158407060
Molecular FormulaC72H71BBr3ClN16O10S4
Molecular Weight1734.71 g/mol
Exact Mass1730.18
IUPAC Name6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile
SMILESCC1(C)OB(c2cnc3[nH]c(-c4ccccc4)cc3c2)OC1(C)C.N#CC1CCN(S(=O)(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)C1.N#CC1CCN(S(=O)(=O)c2cccc(Br)n2)C1.N#CC1CCN(S(=O)(=O)c2cccc(Br)n2)C1.N#CC1CCNC1.O=S(=O)(Cl)c1cccc(Br)n1
InChIInChI=1S/C23H19N5O2S.C19H21BN2O2.2C10H10BrN3O2S.C5H3BrClNO2S.C5H8N2/c24-13-16-9-10-28(15-16)31(29,30)22-8-4-7-20(26-22)19-11-18-12-21(27-23(18)25-14-19)17-5-2-1-3-6-17;1-18(2)19(3,4)24-20(23-18)15-10-14-11-16(22-17(14)21-12-15)13-8-6-5-7-9-13;2*11-9-2-1-3-10(13-9)17(15,16)14-5-4-8(6-12)7-14;6-4-2-1-3-5(8-4)11(7,9)10;6-3-5-1-2-7-4-5/h1-8,11-12,14,16H,9-10,15H2,(H,25,27);5-12H,1-4H3,(H,21,22);2*1-3,8H,4-5,7H2;1-3H;5,7H,1-2,4H2
InChIKeyGYVGUVHUSXEWML-UHFFFAOYSA-N
XLogP12.00
TPSA380.85 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds11
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001734.71
LogP ≤ 512.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile with MolForge

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Related Compounds

azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate
CID 157181574
4-[4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine;5-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]-2-fluorobenzonitrile;2-fluoro-5-[2-(4-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 157478997
5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-methylphenyl)sulfonyl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;5-bromo-1-methyl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;3-bromo-5-pyridin-3-yl-7H-cyclopenta[b]pyridine;1-methyl-3-pyridin-3-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CID 157498951
5-bromo-3-(2-cyclohexylethynyl)pyridin-2-amine;5-bromo-2-cyclohexyl-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-iodopyridin-2-amine;2-cyclohexyl-5-(4-methyl-6-methylsulfonyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 157595249
CID 157623901
CID 157623901
6-bromo-N-[(4-chlorophenyl)methyl]pyridin-2-amine;5-chloro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;N-[(4-chlorophenyl)methyl]-6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine;2,6-dibromopyridine
CID 157652870
1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1-bromo-4-methylsulfonylbenzene;5-bromopyridine-2-sulfonyl chloride;1,1-dioxothian-4-amine;2-methyl-4-(5-methylsulfonyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine
CID 158614358
1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;bis(1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine);5-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridine;phenylboronic acid
CID 158906699
3-bromo-5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-bromo-5-fluoro-1H-pyrrolo[2,3-b]pyridine;2-chloro-5-fluoro-4-methylsulfanylpyrimidine;5-fluoro-3-(5-fluoro-4-methylsulfanylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-fluoro-3-(5-fluoro-4-methylsulfinylpyrimidin-2-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-fluoro-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158921251
1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158925052
1-(benzenesulfonyl)-4-bromo-2-methylpyrrolo[2,3-b]pyridine;N-(1,1-dioxothiolan-3-yl)-4-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)benzenesulfonamide;N-(1,1-dioxothiolan-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 158994184
azane;3-bromo-5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3,5-dimethylpyridin-2-amine;ethynyl(trimethyl)silane;methane;4-methylbenzenesulfonyl chloride;5-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;5-methyl-1-(4-methylphenyl)sulfonyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;5-methylpyridin-2-amine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-(2-trimethylsilylethynyl)pyridin-2-amine;yttrium;hydrate
CID 159030270

Frequently Asked Questions

What is the IUPAC name of 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile?
The IUPAC name of 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile (CID 158407060) is 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile.
What is the SMILES notation for 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile?
The canonical SMILES for 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile is CC1(C)OB(c2cnc3[nH]c(-c4ccccc4)cc3c2)OC1(C)C.N#CC1CCN(S(=O)(=O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)C1.N#CC1CCN(S(=O)(=O)c2cccc(Br)n2)C1.N#CC1CCN(S(=O)(=O)c2cccc(Br)n2)C1.N#CC1CCNC1.O=S(=O)(Cl)c1cccc(Br)n1.
What is the InChIKey of 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile?
The InChIKey is GYVGUVHUSXEWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2S.C19H21BN2O2.2C10H10BrN3O2S.C5H3BrClNO2S.C5H8N2/c24-13-16-9-10-28(15-16)31(29,30)22-8-4-7-20(26-22)19-11-18-12-21(27-23(18)25-14-19)17-5-2-1-3-6-17;1-18(2)19(3,4)24-20(23-18)15-10-14-11-16(22-17(14)21-12-15)13-8-6-5-7-9-13;2*11-9-2-1-3-10(13-9)17(15,16)14-5-4-8(6-12)7-14;6-4-2-1-3-5(8-4)11(7,9)10;6-3-5-1-2-7-4-5/h1-8,11-12,14,16H,9-10,15H2,(H,25,27);5-12H,1-4H3,(H,21,22);2*1-3,8H,4-5,7H2;1-3H;5,7H,1-2,4H2.
What are the key properties of 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile?
6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile has a molecular weight of 1734.71 g/mol, XLogP of 12.00, 11 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromopyridine-2-sulfonyl chloride;bis(1-[(6-bromo-2-pyridinyl)sulfonyl]pyrrolidine-3-carbonitrile);1-[[6-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]sulfonyl]pyrrolidine-3-carbonitrile;2-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine;pyrrolidine-3-carbonitrile is sourced from PubChem (CID 158407060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).