dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate

C46H41Cl4IK2N8O7S2 — CID 159542415

IUPACdipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate
SMILESCI.Cc1cc2c(Cl)ccnc2[nH]1.Cc1cc2c(Cl)ccnc2n1C.Cc1cc2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1.O=CO[O-].O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21.[H-].[K+].[K+]
InChIInChI=1S/C14H11ClN2O2S.C13H9ClN2O2S.C9H9ClN2.C8H7ClN2.CH3I.CH2O3.2K.H/c1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11;14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10;1-6-5-7-8(10)3-4-11-9(7)12(6)2;1-5-4-6-7(9)2-3-10-8(6)11-5;1-2;2-1-4-3;;;/h2-9H,1H3;1-9H;3-5H,1-2H3;2-4H,1H3,(H,10,11);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyLTRALLNMNMDOCD-UHFFFAOYSA-M
MW1228.93 g/mol
LogP4.83
Rot. Bonds5

About dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate

dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate (PubChem CID 159542415) has the molecular formula C46H41Cl4IK2N8O7S2 and a molecular weight of 1228.93 g/mol. Its IUPAC name is dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate.

Molecular Properties

Compound Namedipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate
PubChem CID159542415
Molecular FormulaC46H41Cl4IK2N8O7S2
Molecular Weight1228.93 g/mol
Exact Mass1225.96
IUPAC Namedipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate
SMILESCI.Cc1cc2c(Cl)ccnc2[nH]1.Cc1cc2c(Cl)ccnc2n1C.Cc1cc2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1.O=CO[O-].O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21.[H-].[K+].[K+]
InChIInChI=1S/C14H11ClN2O2S.C13H9ClN2O2S.C9H9ClN2.C8H7ClN2.CH3I.CH2O3.2K.H/c1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11;14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10;1-6-5-7-8(10)3-4-11-9(7)12(6)2;1-5-4-6-7(9)2-3-10-8(6)11-5;1-2;2-1-4-3;;;/h2-9H,1H3;1-9H;3-5H,1-2H3;2-4H,1H3,(H,10,11);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1
InChIKeyLTRALLNMNMDOCD-UHFFFAOYSA-M
XLogP4.83
TPSA199.78 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001228.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate?
The IUPAC name of dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate (CID 159542415) is dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate.
What is the SMILES notation for dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate?
The canonical SMILES for dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate is CI.Cc1cc2c(Cl)ccnc2[nH]1.Cc1cc2c(Cl)ccnc2n1C.Cc1cc2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1.O=CO[O-].O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21.[H-].[K+].[K+].
What is the InChIKey of dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate?
The InChIKey is LTRALLNMNMDOCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11ClN2O2S.C13H9ClN2O2S.C9H9ClN2.C8H7ClN2.CH3I.CH2O3.2K.H/c1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11;14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10;1-6-5-7-8(10)3-4-11-9(7)12(6)2;1-5-4-6-7(9)2-3-10-8(6)11-5;1-2;2-1-4-3;;;/h2-9H,1H3;1-9H;3-5H,1-2H3;2-4H,1H3,(H,10,11);1H3;1,3H;;;/q;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate?
dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate has a molecular weight of 1228.93 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-dimethylpyrrolo[2,3-b]pyridine;4-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;hydride;iodomethane;oxido formate is sourced from PubChem (CID 159542415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).