1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

C69H55Br2ClI2N12O8S4 — CID 160810128

IUPAC1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c[nH]c2ncccc12.Cc1c(I)[nH]c2ncccc12.Cc1c(I)n(S(=O)(=O)c2ccccc2)c2ncccc12.Cc1cn(S(=O)(=O)c2ccccc2)c2ncccc12.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1
InChIInChI=1S/C14H11IN2O2S.C14H12N2O2S.C13H9BrN2O2S.C8H7IN2.C7H5BrN2.C7H6N2.C6H5ClO2S/c1-10-12-8-5-9-16-14(12)17(13(10)15)20(18,19)11-6-3-2-4-7-11;1-11-10-16(14-13(11)8-5-9-15-14)19(17,18)12-6-3-2-4-7-12;14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10;1-5-6-3-2-4-10-8(6)11-7(5)9;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1;7-10(8,9)6-4-2-1-3-5-6/h2-9H,1H3;2-10H,1H3;1-9H;2-4H,1H3,(H,10,11);1-4H,(H,9,10);1-5H,(H,8,9);1-5H
InChIKeySEFBDSGXTCWNSA-UHFFFAOYSA-N
MW1757.61 g/mol
LogP16.78
Rot. Bonds7

About 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 160810128) has the molecular formula C69H55Br2ClI2N12O8S4 and a molecular weight of 1757.61 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
PubChem CID160810128
Molecular FormulaC69H55Br2ClI2N12O8S4
Molecular Weight1757.61 g/mol
Exact Mass1753.93
IUPAC Name1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine
SMILESBrc1c[nH]c2ncccc12.Cc1c(I)[nH]c2ncccc12.Cc1c(I)n(S(=O)(=O)c2ccccc2)c2ncccc12.Cc1cn(S(=O)(=O)c2ccccc2)c2ncccc12.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1
InChIInChI=1S/C14H11IN2O2S.C14H12N2O2S.C13H9BrN2O2S.C8H7IN2.C7H5BrN2.C7H6N2.C6H5ClO2S/c1-10-12-8-5-9-16-14(12)17(13(10)15)20(18,19)11-6-3-2-4-7-11;1-11-10-16(14-13(11)8-5-9-15-14)19(17,18)12-6-3-2-4-7-12;14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10;1-5-6-3-2-4-10-8(6)11-7(5)9;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1;7-10(8,9)6-4-2-1-3-5-6/h2-9H,1H3;2-10H,1H3;1-9H;2-4H,1H3,(H,10,11);1-4H,(H,9,10);1-5H,(H,8,9);1-5H
InChIKeySEFBDSGXTCWNSA-UHFFFAOYSA-N
XLogP16.78
TPSA276.06 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001757.61
LogP ≤ 516.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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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
sodium;1-(benzenesulfonyl)-5-benzyl-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-bromo-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-benzyl-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide
CID 157208973
bis(1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine);N-[[3-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[[3-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;[3-[[[1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]methyl]phenyl]boronic acid
CID 157503516
1-benzyl-5-bromopyrrolo[2,3-b]pyridine-3-sulfonyl chloride;1-[(1-benzyl-5-bromopyrrolo[2,3-b]pyridin-3-yl)methyl]pyrazolo[5,4-b]pyridine;1-[[1-benzyl-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine;1-[[5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]pyrazolo[5,4-b]pyridine
CID 157684316
4-bromo-2-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-bromo-1H-pyrrolo[2,3-b]pyridine
CID 157962909
1-(benzenesulfonyl)-4-bromo-2-iodopyrrolo[2,3-b]pyridine;4-[4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine;3-[1-(benzenesulfonyl)-2-(4-morpholin-4-ylphenyl)pyrrolo[2,3-b]pyridin-4-yl]benzonitrile;3-[2-(4-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzonitrile
CID 158353022
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
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
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
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
5-bromo-1-(4-methylphenyl)sulfonyl-3-(2-methylsulfanylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;6-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-1H-pyrimidine-2-thione;5-bromo-3-[2-(2-phenylethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 159059343

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine (CID 160810128) is 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is Brc1c[nH]c2ncccc12.Cc1c(I)[nH]c2ncccc12.Cc1c(I)n(S(=O)(=O)c2ccccc2)c2ncccc12.Cc1cn(S(=O)(=O)c2ccccc2)c2ncccc12.O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1cc(Br)c2cccnc21.c1cnc2[nH]ccc2c1.
What is the InChIKey of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SEFBDSGXTCWNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IN2O2S.C14H12N2O2S.C13H9BrN2O2S.C8H7IN2.C7H5BrN2.C7H6N2.C6H5ClO2S/c1-10-12-8-5-9-16-14(12)17(13(10)15)20(18,19)11-6-3-2-4-7-11;1-11-10-16(14-13(11)8-5-9-15-14)19(17,18)12-6-3-2-4-7-12;14-12-9-16(13-11(12)7-4-8-15-13)19(17,18)10-5-2-1-3-6-10;1-5-6-3-2-4-10-8(6)11-7(5)9;8-6-4-10-7-5(6)2-1-3-9-7;1-2-6-3-5-9-7(6)8-4-1;7-10(8,9)6-4-2-1-3-5-6/h2-9H,1H3;2-10H,1H3;1-9H;2-4H,1H3,(H,10,11);1-4H,(H,9,10);1-5H,(H,8,9);1-5H.
What are the key properties of 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1757.61 g/mol, XLogP of 16.78, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-bromopyrrolo[2,3-b]pyridine;benzenesulfonyl chloride;1-(benzenesulfonyl)-2-iodo-3-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-methylpyrrolo[2,3-b]pyridine;3-bromo-1H-pyrrolo[2,3-b]pyridine;2-iodo-3-methyl-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160810128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).