2-nitrosoquinolin-3-ol

C9H6N2O2 — CID 87492614

IUPAC2-nitrosoquinolin-3-ol
SMILESO=Nc1nc2ccccc2cc1O
InChIInChI=1S/C9H6N2O2/c12-8-5-6-3-1-2-4-7(6)10-9(8)11-13/h1-5,12H
InChIKeyGSLJVTBNAXSFDB-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.34
Rot. Bonds1

About 2-nitrosoquinolin-3-ol

2-nitrosoquinolin-3-ol (PubChem CID 87492614) has the molecular formula C9H6N2O2 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-nitrosoquinolin-3-ol.

Molecular Properties

Compound Name2-nitrosoquinolin-3-ol
PubChem CID87492614
Molecular FormulaC9H6N2O2
Molecular Weight174.16 g/mol
Exact Mass174.04
IUPAC Name2-nitrosoquinolin-3-ol
SMILESO=Nc1nc2ccccc2cc1O
InChIInChI=1S/C9H6N2O2/c12-8-5-6-3-1-2-4-7(6)10-9(8)11-13/h1-5,12H
InChIKeyGSLJVTBNAXSFDB-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 2-nitrosoquinolin-3-ol?
The IUPAC name of 2-nitrosoquinolin-3-ol (CID 87492614) is 2-nitrosoquinolin-3-ol.
What is the SMILES notation for 2-nitrosoquinolin-3-ol?
The canonical SMILES for 2-nitrosoquinolin-3-ol is O=Nc1nc2ccccc2cc1O.
What is the InChIKey of 2-nitrosoquinolin-3-ol?
The InChIKey is GSLJVTBNAXSFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O2/c12-8-5-6-3-1-2-4-7(6)10-9(8)11-13/h1-5,12H.
What are the key properties of 2-nitrosoquinolin-3-ol?
2-nitrosoquinolin-3-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 2-nitrosoquinolin-3-ol is sourced from PubChem (CID 87492614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).