2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid

C15H9ClFNO3 — CID 138658751

IUPAC2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid
SMILESO=C(O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(F)c21
InChIInChI=1S/C15H9ClFNO3/c16-10-6-5-9-14(13(10)17)18(7-12(19)20)11-4-2-1-3-8(11)15(9)21/h1-6H,7H2,(H,19,20)
InChIKeyFUQLWKWFVVHNGJ-UHFFFAOYSA-N
MW305.69 g/mol
LogP3.03
Rot. Bonds2

About 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid

2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid (PubChem CID 138658751) has the molecular formula C15H9ClFNO3 and a molecular weight of 305.69 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid
PubChem CID138658751
Molecular FormulaC15H9ClFNO3
Molecular Weight305.69 g/mol
Exact Mass305.03
IUPAC Name2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid
SMILESO=C(O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(F)c21
InChIInChI=1S/C15H9ClFNO3/c16-10-6-5-9-14(13(10)17)18(7-12(19)20)11-4-2-1-3-8(11)15(9)21/h1-6H,7H2,(H,19,20)
InChIKeyFUQLWKWFVVHNGJ-UHFFFAOYSA-N
XLogP3.03
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 53.03
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-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid?
The IUPAC name of 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid (CID 138658751) is 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid is O=C(O)Cn1c2ccccc2c(=O)c2ccc(Cl)c(F)c21.
What is the InChIKey of 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid?
The InChIKey is FUQLWKWFVVHNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO3/c16-10-6-5-9-14(13(10)17)18(7-12(19)20)11-4-2-1-3-8(11)15(9)21/h1-6H,7H2,(H,19,20).
What are the key properties of 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid?
2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid has a molecular weight of 305.69 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoro-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 138658751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).