5-bromo-9-chloro-1,2,3,4-tetrahydroacridine

C13H11BrClN — CID 63408990

IUPAC5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
SMILESClc1c2c(nc3c(Br)cccc13)CCCC2
InChIInChI=1S/C13H11BrClN/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h3,5-6H,1-2,4,7H2
InChIKeyPWOGHUXURPDQNE-UHFFFAOYSA-N
MW296.59 g/mol
LogP4.53
Rot. Bonds

About 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine

5-bromo-9-chloro-1,2,3,4-tetrahydroacridine (PubChem CID 63408990) has the molecular formula C13H11BrClN and a molecular weight of 296.59 g/mol. Its IUPAC name is 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
PubChem CID63408990
Molecular FormulaC13H11BrClN
Molecular Weight296.59 g/mol
Exact Mass294.98
IUPAC Name5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
SMILESClc1c2c(nc3c(Br)cccc13)CCCC2
InChIInChI=1S/C13H11BrClN/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h3,5-6H,1-2,4,7H2
InChIKeyPWOGHUXURPDQNE-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine?
The IUPAC name of 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine (CID 63408990) is 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine is Clc1c2c(nc3c(Br)cccc13)CCCC2.
What is the InChIKey of 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine?
The InChIKey is PWOGHUXURPDQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h3,5-6H,1-2,4,7H2.
What are the key properties of 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine?
5-bromo-9-chloro-1,2,3,4-tetrahydroacridine has a molecular weight of 296.59 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-9-chloro-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 63408990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).