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

C16H15FN2O2S — CID 46944764

IUPAC3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
SMILESCOc1ccc2cc(-c3ccc(OCCCF)nn3)sc2c1
InChIInChI=1S/C16H15FN2O2S/c1-20-12-4-3-11-9-15(22-14(11)10-12)13-5-6-16(19-18-13)21-8-2-7-17/h3-6,9-10H,2,7-8H2,1H3
InChIKeyOOZBQRKSEYQRMP-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.11
Rot. Bonds6

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

3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine (PubChem CID 46944764) has the molecular formula C16H15FN2O2S and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine.

Molecular Properties

Compound Name3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
PubChem CID46944764
Molecular FormulaC16H15FN2O2S
Molecular Weight318.37 g/mol
Exact Mass318.08
IUPAC Name3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine
SMILESCOc1ccc2cc(-c3ccc(OCCCF)nn3)sc2c1
InChIInChI=1S/C16H15FN2O2S/c1-20-12-4-3-11-9-15(22-14(11)10-12)13-5-6-16(19-18-13)21-8-2-7-17/h3-6,9-10H,2,7-8H2,1H3
InChIKeyOOZBQRKSEYQRMP-UHFFFAOYSA-N
XLogP4.11
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine?
The IUPAC name of 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine (CID 46944764) is 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine.
What is the SMILES notation for 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine?
The canonical SMILES for 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine is COc1ccc2cc(-c3ccc(OCCCF)nn3)sc2c1.
What is the InChIKey of 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine?
The InChIKey is OOZBQRKSEYQRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2S/c1-20-12-4-3-11-9-15(22-14(11)10-12)13-5-6-16(19-18-13)21-8-2-7-17/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine?
3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine has a molecular weight of 318.37 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropoxy)-6-(6-methoxy-1-benzothiophen-2-yl)pyridazine is sourced from PubChem (CID 46944764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).