3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine

C15H13FN2O2S — CID 46944763

IUPAC3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
SMILESCOc1ccc2cc(-c3ccc(OCCF)nn3)sc2c1
InChIInChI=1S/C15H13FN2O2S/c1-19-11-3-2-10-8-14(21-13(10)9-11)12-4-5-15(18-17-12)20-7-6-16/h2-5,8-9H,6-7H2,1H3
InChIKeyXCLGGABLEUNDSW-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.72
Rot. Bonds5

About 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine

3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine (PubChem CID 46944763) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
PubChem CID46944763
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
SMILESCOc1ccc2cc(-c3ccc(OCCF)nn3)sc2c1
InChIInChI=1S/C15H13FN2O2S/c1-19-11-3-2-10-8-14(21-13(10)9-11)12-4-5-15(18-17-12)20-7-6-16/h2-5,8-9H,6-7H2,1H3
InChIKeyXCLGGABLEUNDSW-UHFFFAOYSA-N
XLogP3.72
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine?
The IUPAC name of 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine (CID 46944763) is 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine.
What is the SMILES notation for 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine?
The canonical SMILES for 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine is COc1ccc2cc(-c3ccc(OCCF)nn3)sc2c1.
What is the InChIKey of 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine?
The InChIKey is XCLGGABLEUNDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-19-11-3-2-10-8-14(21-13(10)9-11)12-4-5-15(18-17-12)20-7-6-16/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine?
3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine has a molecular weight of 304.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine is sourced from PubChem (CID 46944763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).