3-(6-bromonaphthalen-2-yl)oxypyridazine

C14H9BrN2O — CID 55079910

IUPAC3-(6-bromonaphthalen-2-yl)oxypyridazine
SMILESBrc1ccc2cc(Oc3cccnn3)ccc2c1
InChIInChI=1S/C14H9BrN2O/c15-12-5-3-11-9-13(6-4-10(11)8-12)18-14-2-1-7-16-17-14/h1-9H
InChIKeyMUTQUNCVIALINB-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.18
Rot. Bonds2

About 3-(6-bromonaphthalen-2-yl)oxypyridazine

3-(6-bromonaphthalen-2-yl)oxypyridazine (PubChem CID 55079910) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxypyridazine.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxypyridazine
PubChem CID55079910
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name3-(6-bromonaphthalen-2-yl)oxypyridazine
SMILESBrc1ccc2cc(Oc3cccnn3)ccc2c1
InChIInChI=1S/C14H9BrN2O/c15-12-5-3-11-9-13(6-4-10(11)8-12)18-14-2-1-7-16-17-14/h1-9H
InChIKeyMUTQUNCVIALINB-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxypyridazine?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxypyridazine (CID 55079910) is 3-(6-bromonaphthalen-2-yl)oxypyridazine.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxypyridazine?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxypyridazine is Brc1ccc2cc(Oc3cccnn3)ccc2c1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxypyridazine?
The InChIKey is MUTQUNCVIALINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-12-5-3-11-9-13(6-4-10(11)8-12)18-14-2-1-7-16-17-14/h1-9H.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxypyridazine?
3-(6-bromonaphthalen-2-yl)oxypyridazine has a molecular weight of 301.14 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxypyridazine is sourced from PubChem (CID 55079910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).