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

C15H13BrFNO2 — CID 63463144

IUPAC5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCCc2c1nc1c(Br)cc(F)cc1c2C(=O)O
InChIInChI=1S/C15H13BrFNO2/c1-7-3-2-4-9-12(15(19)20)10-5-8(17)6-11(16)14(10)18-13(7)9/h5-7H,2-4H2,1H3,(H,19,20)
InChIKeyIRULTVXREABAJH-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.27
Rot. Bonds1

About 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 63463144) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID63463144
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC Name5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCCc2c1nc1c(Br)cc(F)cc1c2C(=O)O
InChIInChI=1S/C15H13BrFNO2/c1-7-3-2-4-9-12(15(19)20)10-5-8(17)6-11(16)14(10)18-13(7)9/h5-7H,2-4H2,1H3,(H,19,20)
InChIKeyIRULTVXREABAJH-UHFFFAOYSA-N
XLogP4.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 63463144) is 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC1CCCc2c1nc1c(Br)cc(F)cc1c2C(=O)O.
What is the InChIKey of 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is IRULTVXREABAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-7-3-2-4-9-12(15(19)20)10-5-8(17)6-11(16)14(10)18-13(7)9/h5-7H,2-4H2,1H3,(H,19,20).
What are the key properties of 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 338.18 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 63463144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).