dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol

C17H16Cl2MnN4O4 — CID 157230642

IUPACdichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol
SMILESClCCl.O=Cc1[nH]nc2ccccc12.O=[Mn]=O.OCc1[nH]nc2ccccc12
InChIInChI=1S/C8H8N2O.C8H6N2O.CH2Cl2.Mn.2O/c2*11-5-8-6-3-1-2-4-7(6)9-10-8;2-1-3;;;/h1-4,11H,5H2,(H,9,10);1-5H,(H,9,10);1H2;;;
InChIKeyGVBGMAFJRLSJGO-UHFFFAOYSA-N
MW466.18 g/mol
LogP3.61
Rot. Bonds2

About dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol

dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol (PubChem CID 157230642) has the molecular formula C17H16Cl2MnN4O4 and a molecular weight of 466.18 g/mol. Its IUPAC name is dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol.

Molecular Properties

Compound Namedichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol
PubChem CID157230642
Molecular FormulaC17H16Cl2MnN4O4
Molecular Weight466.18 g/mol
Exact Mass464.99
IUPAC Namedichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol
SMILESClCCl.O=Cc1[nH]nc2ccccc12.O=[Mn]=O.OCc1[nH]nc2ccccc12
InChIInChI=1S/C8H8N2O.C8H6N2O.CH2Cl2.Mn.2O/c2*11-5-8-6-3-1-2-4-7(6)9-10-8;2-1-3;;;/h1-4,11H,5H2,(H,9,10);1-5H,(H,9,10);1H2;;;
InChIKeyGVBGMAFJRLSJGO-UHFFFAOYSA-N
XLogP3.61
TPSA128.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.18
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol?
The IUPAC name of dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol (CID 157230642) is dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol.
What is the SMILES notation for dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol?
The canonical SMILES for dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol is ClCCl.O=Cc1[nH]nc2ccccc12.O=[Mn]=O.OCc1[nH]nc2ccccc12.
What is the InChIKey of dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol?
The InChIKey is GVBGMAFJRLSJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.C8H6N2O.CH2Cl2.Mn.2O/c2*11-5-8-6-3-1-2-4-7(6)9-10-8;2-1-3;;;/h1-4,11H,5H2,(H,9,10);1-5H,(H,9,10);1H2;;;.
What are the key properties of dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol?
dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol has a molecular weight of 466.18 g/mol, XLogP of 3.61, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;dioxomanganese;2H-indazole-3-carbaldehyde;2H-indazol-3-ylmethanol is sourced from PubChem (CID 157230642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).