5-chloro-1,3-dihydroxy-10H-acridin-9-one

C13H8ClNO3 — CID 5482932

IUPAC5-chloro-1,3-dihydroxy-10H-acridin-9-one
SMILESO=c1c2cccc(Cl)c2[nH]c2cc(O)cc(O)c12
InChIInChI=1S/C13H8ClNO3/c14-8-3-1-2-7-12(8)15-9-4-6(16)5-10(17)11(9)13(7)18/h1-5,16-17H,(H,15,18)
InChIKeyFNIGHIXUKIHUMN-UHFFFAOYSA-N
MW261.66 g/mol
LogP2.75
Rot. Bonds

About 5-chloro-1,3-dihydroxy-10H-acridin-9-one

5-chloro-1,3-dihydroxy-10H-acridin-9-one (PubChem CID 5482932) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 5-chloro-1,3-dihydroxy-10H-acridin-9-one.

Molecular Properties

Compound Name5-chloro-1,3-dihydroxy-10H-acridin-9-one
PubChem CID5482932
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name5-chloro-1,3-dihydroxy-10H-acridin-9-one
SMILESO=c1c2cccc(Cl)c2[nH]c2cc(O)cc(O)c12
InChIInChI=1S/C13H8ClNO3/c14-8-3-1-2-7-12(8)15-9-4-6(16)5-10(17)11(9)13(7)18/h1-5,16-17H,(H,15,18)
InChIKeyFNIGHIXUKIHUMN-UHFFFAOYSA-N
XLogP2.75
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dihydroxy-10H-acridin-9-one?
The IUPAC name of 5-chloro-1,3-dihydroxy-10H-acridin-9-one (CID 5482932) is 5-chloro-1,3-dihydroxy-10H-acridin-9-one.
What is the SMILES notation for 5-chloro-1,3-dihydroxy-10H-acridin-9-one?
The canonical SMILES for 5-chloro-1,3-dihydroxy-10H-acridin-9-one is O=c1c2cccc(Cl)c2[nH]c2cc(O)cc(O)c12.
What is the InChIKey of 5-chloro-1,3-dihydroxy-10H-acridin-9-one?
The InChIKey is FNIGHIXUKIHUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-8-3-1-2-7-12(8)15-9-4-6(16)5-10(17)11(9)13(7)18/h1-5,16-17H,(H,15,18).
What are the key properties of 5-chloro-1,3-dihydroxy-10H-acridin-9-one?
5-chloro-1,3-dihydroxy-10H-acridin-9-one has a molecular weight of 261.66 g/mol, XLogP of 2.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dihydroxy-10H-acridin-9-one is sourced from PubChem (CID 5482932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).