7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C14H11BrFNO2 — CID 61358131

IUPAC7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3cc(F)c(Br)cc13)CCCC2
InChIInChI=1S/C14H11BrFNO2/c15-9-5-8-12(6-10(9)16)17-11-4-2-1-3-7(11)13(8)14(18)19/h5-6H,1-4H2,(H,18,19)
InChIKeyFPDLAQHNHVXPLM-UHFFFAOYSA-N
MW324.15 g/mol
LogP3.71
Rot. Bonds1

About 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid

7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 61358131) has the molecular formula C14H11BrFNO2 and a molecular weight of 324.15 g/mol. Its IUPAC name is 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID61358131
Molecular FormulaC14H11BrFNO2
Molecular Weight324.15 g/mol
Exact Mass323.00
IUPAC Name7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESO=C(O)c1c2c(nc3cc(F)c(Br)cc13)CCCC2
InChIInChI=1S/C14H11BrFNO2/c15-9-5-8-12(6-10(9)16)17-11-4-2-1-3-7(11)13(8)14(18)19/h5-6H,1-4H2,(H,18,19)
InChIKeyFPDLAQHNHVXPLM-UHFFFAOYSA-N
XLogP3.71
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 61358131) is 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid is O=C(O)c1c2c(nc3cc(F)c(Br)cc13)CCCC2.
What is the InChIKey of 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is FPDLAQHNHVXPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO2/c15-9-5-8-12(6-10(9)16)17-11-4-2-1-3-7(11)13(8)14(18)19/h5-6H,1-4H2,(H,18,19).
What are the key properties of 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 324.15 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 61358131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).