2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid

C15H8Cl2FNO3 — CID 138658092

IUPAC2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid
SMILESO=C(O)Cn1c2cccc(F)c2c(=O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C15H8Cl2FNO3/c16-8-5-4-7-14(13(8)17)19(6-11(20)21)10-3-1-2-9(18)12(10)15(7)22/h1-5H,6H2,(H,20,21)
InChIKeyWIMLXHRBPFOQJW-UHFFFAOYSA-N
MW340.14 g/mol
LogP3.69
Rot. Bonds2

About 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid

2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid (PubChem CID 138658092) has the molecular formula C15H8Cl2FNO3 and a molecular weight of 340.14 g/mol. Its IUPAC name is 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid
PubChem CID138658092
Molecular FormulaC15H8Cl2FNO3
Molecular Weight340.14 g/mol
Exact Mass338.99
IUPAC Name2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid
SMILESO=C(O)Cn1c2cccc(F)c2c(=O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C15H8Cl2FNO3/c16-8-5-4-7-14(13(8)17)19(6-11(20)21)10-3-1-2-9(18)12(10)15(7)22/h1-5H,6H2,(H,20,21)
InChIKeyWIMLXHRBPFOQJW-UHFFFAOYSA-N
XLogP3.69
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
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 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid?
The IUPAC name of 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid (CID 138658092) is 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid is O=C(O)Cn1c2cccc(F)c2c(=O)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid?
The InChIKey is WIMLXHRBPFOQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2FNO3/c16-8-5-4-7-14(13(8)17)19(6-11(20)21)10-3-1-2-9(18)12(10)15(7)22/h1-5H,6H2,(H,20,21).
What are the key properties of 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid?
2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid has a molecular weight of 340.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1-fluoro-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 138658092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).