3-phenoxypyridazine

C10H8N2O — CID 599070

IUPAC3-phenoxypyridazine
SMILESc1ccc(Oc2cccnn2)cc1
InChIInChI=1S/C10H8N2O/c1-2-5-9(6-3-1)13-10-7-4-8-11-12-10/h1-8H
InChIKeyFTXJUKILOHPHHB-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.27
Rot. Bonds2

About 3-phenoxypyridazine

3-phenoxypyridazine (PubChem CID 599070) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-phenoxypyridazine.

Molecular Properties

Compound Name3-phenoxypyridazine
PubChem CID599070
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name3-phenoxypyridazine
SMILESc1ccc(Oc2cccnn2)cc1
InChIInChI=1S/C10H8N2O/c1-2-5-9(6-3-1)13-10-7-4-8-11-12-10/h1-8H
InChIKeyFTXJUKILOHPHHB-UHFFFAOYSA-N
XLogP2.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxypyridazine?
The IUPAC name of 3-phenoxypyridazine (CID 599070) is 3-phenoxypyridazine.
What is the SMILES notation for 3-phenoxypyridazine?
The canonical SMILES for 3-phenoxypyridazine is c1ccc(Oc2cccnn2)cc1.
What is the InChIKey of 3-phenoxypyridazine?
The InChIKey is FTXJUKILOHPHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-2-5-9(6-3-1)13-10-7-4-8-11-12-10/h1-8H.
What are the key properties of 3-phenoxypyridazine?
3-phenoxypyridazine has a molecular weight of 172.19 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxypyridazine is sourced from PubChem (CID 599070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).