2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid

C15H8ClF2NO3 — CID 138657970

IUPAC2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid
SMILESO=C(O)Cn1c2cc(F)ccc2c(=O)c2ccc(F)c(Cl)c21
InChIInChI=1S/C15H8ClF2NO3/c16-13-10(18)4-3-9-14(13)19(6-12(20)21)11-5-7(17)1-2-8(11)15(9)22/h1-5H,6H2,(H,20,21)
InChIKeyZMFYEVIODJWSIB-UHFFFAOYSA-N
MW323.68 g/mol
LogP3.17
Rot. Bonds2

About 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid

2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid (PubChem CID 138657970) has the molecular formula C15H8ClF2NO3 and a molecular weight of 323.68 g/mol. Its IUPAC name is 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid
PubChem CID138657970
Molecular FormulaC15H8ClF2NO3
Molecular Weight323.68 g/mol
Exact Mass323.02
IUPAC Name2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid
SMILESO=C(O)Cn1c2cc(F)ccc2c(=O)c2ccc(F)c(Cl)c21
InChIInChI=1S/C15H8ClF2NO3/c16-13-10(18)4-3-9-14(13)19(6-12(20)21)11-5-7(17)1-2-8(11)15(9)22/h1-5H,6H2,(H,20,21)
InChIKeyZMFYEVIODJWSIB-UHFFFAOYSA-N
XLogP3.17
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.68
LogP ≤ 53.17
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-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid?
The IUPAC name of 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid (CID 138657970) is 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid is O=C(O)Cn1c2cc(F)ccc2c(=O)c2ccc(F)c(Cl)c21.
What is the InChIKey of 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid?
The InChIKey is ZMFYEVIODJWSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO3/c16-13-10(18)4-3-9-14(13)19(6-12(20)21)11-5-7(17)1-2-8(11)15(9)22/h1-5H,6H2,(H,20,21).
What are the key properties of 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid?
2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid has a molecular weight of 323.68 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,6-difluoro-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 138657970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).