2-chloroacridin-1-ol

C13H8ClNO — CID 135984023

IUPAC2-chloroacridin-1-ol
SMILESOc1c(Cl)ccc2nc3ccccc3cc12
InChIInChI=1S/C13H8ClNO/c14-10-5-6-12-9(13(10)16)7-8-3-1-2-4-11(8)15-12/h1-7,16H
InChIKeyYDHDCXCHPFSRTO-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.75
Rot. Bonds

About 2-chloroacridin-1-ol

2-chloroacridin-1-ol (PubChem CID 135984023) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-chloroacridin-1-ol.

Molecular Properties

Compound Name2-chloroacridin-1-ol
PubChem CID135984023
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name2-chloroacridin-1-ol
SMILESOc1c(Cl)ccc2nc3ccccc3cc12
InChIInChI=1S/C13H8ClNO/c14-10-5-6-12-9(13(10)16)7-8-3-1-2-4-11(8)15-12/h1-7,16H
InChIKeyYDHDCXCHPFSRTO-UHFFFAOYSA-N
XLogP3.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-chloroacridin-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloroacridin-1-ol?
The IUPAC name of 2-chloroacridin-1-ol (CID 135984023) is 2-chloroacridin-1-ol.
What is the SMILES notation for 2-chloroacridin-1-ol?
The canonical SMILES for 2-chloroacridin-1-ol is Oc1c(Cl)ccc2nc3ccccc3cc12.
What is the InChIKey of 2-chloroacridin-1-ol?
The InChIKey is YDHDCXCHPFSRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-10-5-6-12-9(13(10)16)7-8-3-1-2-4-11(8)15-12/h1-7,16H.
What are the key properties of 2-chloroacridin-1-ol?
2-chloroacridin-1-ol has a molecular weight of 229.67 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacridin-1-ol is sourced from PubChem (CID 135984023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).