2,5-dichloroquinolin-6-ol

C9H5Cl2NO — CID 84680107

IUPAC2,5-dichloroquinolin-6-ol
SMILESOc1ccc2nc(Cl)ccc2c1Cl
InChIInChI=1S/C9H5Cl2NO/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1-4,13H
InChIKeyIHYFOMGUSJBHDM-UHFFFAOYSA-N
MW214.05 g/mol
LogP3.25
Rot. Bonds

About 2,5-dichloroquinolin-6-ol

2,5-dichloroquinolin-6-ol (PubChem CID 84680107) has the molecular formula C9H5Cl2NO and a molecular weight of 214.05 g/mol. Its IUPAC name is 2,5-dichloroquinolin-6-ol.

Molecular Properties

Compound Name2,5-dichloroquinolin-6-ol
PubChem CID84680107
Molecular FormulaC9H5Cl2NO
Molecular Weight214.05 g/mol
Exact Mass212.97
IUPAC Name2,5-dichloroquinolin-6-ol
SMILESOc1ccc2nc(Cl)ccc2c1Cl
InChIInChI=1S/C9H5Cl2NO/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1-4,13H
InChIKeyIHYFOMGUSJBHDM-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloroquinolin-6-ol?
The IUPAC name of 2,5-dichloroquinolin-6-ol (CID 84680107) is 2,5-dichloroquinolin-6-ol.
What is the SMILES notation for 2,5-dichloroquinolin-6-ol?
The canonical SMILES for 2,5-dichloroquinolin-6-ol is Oc1ccc2nc(Cl)ccc2c1Cl.
What is the InChIKey of 2,5-dichloroquinolin-6-ol?
The InChIKey is IHYFOMGUSJBHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2NO/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1-4,13H.
What are the key properties of 2,5-dichloroquinolin-6-ol?
2,5-dichloroquinolin-6-ol has a molecular weight of 214.05 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloroquinolin-6-ol is sourced from PubChem (CID 84680107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).