5-nitrosoquinolin-8-ol

C9H6N2O2 — CID 19103

IUPAC5-nitrosoquinolin-8-ol
SMILESO=Nc1ccc(O)c2ncccc12
InChIInChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H
InChIKeyRZWRYPGAUIOOMK-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.34
Rot. Bonds1

About 5-nitrosoquinolin-8-ol

5-nitrosoquinolin-8-ol (PubChem CID 19103) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 5-nitrosoquinolin-8-ol.

Molecular Properties

Compound Name5-nitrosoquinolin-8-ol
PubChem CID19103
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name5-nitrosoquinolin-8-ol
SMILESO=Nc1ccc(O)c2ncccc12
InChIInChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H
InChIKeyRZWRYPGAUIOOMK-UHFFFAOYSA-N
XLogP2.34
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-nitrosoquinolin-8-ol?
The IUPAC name of 5-nitrosoquinolin-8-ol (CID 19103) is 5-nitrosoquinolin-8-ol.
What is the SMILES notation for 5-nitrosoquinolin-8-ol?
The canonical SMILES for 5-nitrosoquinolin-8-ol is O=Nc1ccc(O)c2ncccc12.
What is the InChIKey of 5-nitrosoquinolin-8-ol?
The InChIKey is RZWRYPGAUIOOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-8-4-3-7(11-13)6-2-1-5-10-9(6)8/h1-5,12H.
What are the key properties of 5-nitrosoquinolin-8-ol?
5-nitrosoquinolin-8-ol has a molecular weight of 174.16 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrosoquinolin-8-ol is sourced from PubChem (CID 19103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).