2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid

C16H10Cl2FNO3 — CID 138658406

IUPAC2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid
SMILESCc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1F
InChIInChI=1S/C16H10Cl2FNO3/c1-7-4-9-12(5-11(7)19)20(6-13(21)22)15-8(16(9)23)2-3-10(17)14(15)18/h2-5H,6H2,1H3,(H,21,22)
InChIKeyMRVQOEGOCPNHAK-UHFFFAOYSA-N
MW354.16 g/mol
LogP3.99
Rot. Bonds2

About 2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid

2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid (PubChem CID 138658406) has the molecular formula C16H10Cl2FNO3 and a molecular weight of 354.16 g/mol. Its IUPAC name is 2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid
PubChem CID138658406
Molecular FormulaC16H10Cl2FNO3
Molecular Weight354.16 g/mol
Exact Mass353.00
IUPAC Name2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid
SMILESCc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1F
InChIInChI=1S/C16H10Cl2FNO3/c1-7-4-9-12(5-11(7)19)20(6-13(21)22)15-8(16(9)23)2-3-10(17)14(15)18/h2-5H,6H2,1H3,(H,21,22)
InChIKeyMRVQOEGOCPNHAK-UHFFFAOYSA-N
XLogP3.99
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.16
LogP ≤ 53.99
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-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid?
The IUPAC name of 2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid (CID 138658406) is 2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid.
What is the SMILES notation for 2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid?
The canonical SMILES for 2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid is Cc1cc2c(=O)c3ccc(Cl)c(Cl)c3n(CC(=O)O)c2cc1F.
What is the InChIKey of 2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid?
The InChIKey is MRVQOEGOCPNHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FNO3/c1-7-4-9-12(5-11(7)19)20(6-13(21)22)15-8(16(9)23)2-3-10(17)14(15)18/h2-5H,6H2,1H3,(H,21,22).
What are the key properties of 2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid?
2-(5,6-dichloro-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid has a molecular weight of 354.16 g/mol, XLogP of 3.99, 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-3-fluoro-2-methyl-9-oxoacridin-10-yl)acetic acid is sourced from PubChem (CID 138658406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).