3-(1,6-dibromonaphthalen-2-yl)oxyazetidine

C13H11Br2NO — CID 53409373

IUPAC3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
SMILESBrc1ccc2c(Br)c(OC3CNC3)ccc2c1
InChIInChI=1S/C13H11Br2NO/c14-9-2-3-11-8(5-9)1-4-12(13(11)15)17-10-6-16-7-10/h1-5,10,16H,6-7H2
InChIKeyBGGSBCLNPCJKGD-UHFFFAOYSA-N
MW357.05 g/mol
LogP3.72
Rot. Bonds2

About 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine

3-(1,6-dibromonaphthalen-2-yl)oxyazetidine (PubChem CID 53409373) has the molecular formula C13H11Br2NO and a molecular weight of 357.05 g/mol. Its IUPAC name is 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine.

Molecular Properties

Compound Name3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
PubChem CID53409373
Molecular FormulaC13H11Br2NO
Molecular Weight357.05 g/mol
Exact Mass354.92
IUPAC Name3-(1,6-dibromonaphthalen-2-yl)oxyazetidine
SMILESBrc1ccc2c(Br)c(OC3CNC3)ccc2c1
InChIInChI=1S/C13H11Br2NO/c14-9-2-3-11-8(5-9)1-4-12(13(11)15)17-10-6-16-7-10/h1-5,10,16H,6-7H2
InChIKeyBGGSBCLNPCJKGD-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.05
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine?
The IUPAC name of 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine (CID 53409373) is 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine.
What is the SMILES notation for 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine?
The canonical SMILES for 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine is Brc1ccc2c(Br)c(OC3CNC3)ccc2c1.
What is the InChIKey of 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine?
The InChIKey is BGGSBCLNPCJKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2NO/c14-9-2-3-11-8(5-9)1-4-12(13(11)15)17-10-6-16-7-10/h1-5,10,16H,6-7H2.
What are the key properties of 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine?
3-(1,6-dibromonaphthalen-2-yl)oxyazetidine has a molecular weight of 357.05 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,6-dibromonaphthalen-2-yl)oxyazetidine is sourced from PubChem (CID 53409373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).