5,7-dichloro-3-nitroso-2H-isoindol-1-ol

C8H4Cl2N2O2 — CID 790185

IUPAC5,7-dichloro-3-nitroso-2H-isoindol-1-ol
SMILESO=Nc1[nH]c(O)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C8H4Cl2N2O2/c9-3-1-4-6(5(10)2-3)8(13)11-7(4)12-14/h1-2,11,13H
InChIKeyJZDYNUJLFFZJLU-UHFFFAOYSA-N
MW231.04 g/mol
LogP3.58
Rot. Bonds1

About 5,7-dichloro-3-nitroso-2H-isoindol-1-ol

5,7-dichloro-3-nitroso-2H-isoindol-1-ol (PubChem CID 790185) has the molecular formula C8H4Cl2N2O2 and a molecular weight of 231.04 g/mol. Its IUPAC name is 5,7-dichloro-3-nitroso-2H-isoindol-1-ol.

Molecular Properties

Compound Name5,7-dichloro-3-nitroso-2H-isoindol-1-ol
PubChem CID790185
Molecular FormulaC8H4Cl2N2O2
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name5,7-dichloro-3-nitroso-2H-isoindol-1-ol
SMILESO=Nc1[nH]c(O)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C8H4Cl2N2O2/c9-3-1-4-6(5(10)2-3)8(13)11-7(4)12-14/h1-2,11,13H
InChIKeyJZDYNUJLFFZJLU-UHFFFAOYSA-N
XLogP3.58
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-nitroso-2H-isoindol-1-ol?
The IUPAC name of 5,7-dichloro-3-nitroso-2H-isoindol-1-ol (CID 790185) is 5,7-dichloro-3-nitroso-2H-isoindol-1-ol.
What is the SMILES notation for 5,7-dichloro-3-nitroso-2H-isoindol-1-ol?
The canonical SMILES for 5,7-dichloro-3-nitroso-2H-isoindol-1-ol is O=Nc1[nH]c(O)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of 5,7-dichloro-3-nitroso-2H-isoindol-1-ol?
The InChIKey is JZDYNUJLFFZJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2/c9-3-1-4-6(5(10)2-3)8(13)11-7(4)12-14/h1-2,11,13H.
What are the key properties of 5,7-dichloro-3-nitroso-2H-isoindol-1-ol?
5,7-dichloro-3-nitroso-2H-isoindol-1-ol has a molecular weight of 231.04 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-nitroso-2H-isoindol-1-ol is sourced from PubChem (CID 790185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).