disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite

C28H42ClN4Na2O9PSi2 — CID 159028629

IUPACdisodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite
SMILESCC(C)(C)[Si](C)(C)n1ccc2cc(C(=O)O)cnc21.CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)cnc21.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-]
InChIInChI=1S/C14H20N2O2Si.C14H20N2OSi.ClO2.2Na.HO4P.H/c1-14(2,3)19(4,5)16-7-6-10-8-11(13(17)18)9-15-12(10)16;1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;2-1-3;;;1-4-5(2)3;/h6-9H,1-5H3,(H,17,18);6-10H,1-5H3;;;;1H;/q;;-1;2*+1;;-1
InChIKeyHBSRHBAFHYLSCT-UHFFFAOYSA-N
MW747.24 g/mol
LogP-1.47
Rot. Bonds5

About disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite

disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite (PubChem CID 159028629) has the molecular formula C28H42ClN4Na2O9PSi2 and a molecular weight of 747.24 g/mol. Its IUPAC name is disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite.

Molecular Properties

Compound Namedisodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite
PubChem CID159028629
Molecular FormulaC28H42ClN4Na2O9PSi2
Molecular Weight747.24 g/mol
Exact Mass746.17
IUPAC Namedisodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite
SMILESCC(C)(C)[Si](C)(C)n1ccc2cc(C(=O)O)cnc21.CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)cnc21.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-]
InChIInChI=1S/C14H20N2O2Si.C14H20N2OSi.ClO2.2Na.HO4P.H/c1-14(2,3)19(4,5)16-7-6-10-8-11(13(17)18)9-15-12(10)16;1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;2-1-3;;;1-4-5(2)3;/h6-9H,1-5H3,(H,17,18);6-10H,1-5H3;;;;1H;/q;;-1;2*+1;;-1
InChIKeyHBSRHBAFHYLSCT-UHFFFAOYSA-N
XLogP-1.47
TPSA205.72 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.24
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite?
The IUPAC name of disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite (CID 159028629) is disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite.
What is the SMILES notation for disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite?
The canonical SMILES for disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite is CC(C)(C)[Si](C)(C)n1ccc2cc(C(=O)O)cnc21.CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)cnc21.O=[P+]([O-])OO.[H-].[Na+].[Na+].[O-][Cl+][O-].
What is the InChIKey of disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite?
The InChIKey is HBSRHBAFHYLSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2Si.C14H20N2OSi.ClO2.2Na.HO4P.H/c1-14(2,3)19(4,5)16-7-6-10-8-11(13(17)18)9-15-12(10)16;1-14(2,3)18(4,5)16-7-6-12-8-11(10-17)9-15-13(12)16;2-1-3;;;1-4-5(2)3;/h6-9H,1-5H3,(H,17,18);6-10H,1-5H3;;;;1H;/q;;-1;2*+1;;-1.
What are the key properties of disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite?
disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite has a molecular weight of 747.24 g/mol, XLogP of -1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridine-5-carboxylic acid;hydride;hydroperoxy-oxido-oxophosphanium;chlorite is sourced from PubChem (CID 159028629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).