3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine

C13H9FN2S — CID 155962582

IUPAC3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine
SMILESCc1ccc(-c2cc3c(F)cccc3s2)nn1
InChIInChI=1S/C13H9FN2S/c1-8-5-6-11(16-15-8)13-7-9-10(14)3-2-4-12(9)17-13/h2-7H,1H3
InChIKeyHVZDHOWZPVMERE-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.81
Rot. Bonds1

About 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine

3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine (PubChem CID 155962582) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine.

Molecular Properties

Compound Name3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine
PubChem CID155962582
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine
SMILESCc1ccc(-c2cc3c(F)cccc3s2)nn1
InChIInChI=1S/C13H9FN2S/c1-8-5-6-11(16-15-8)13-7-9-10(14)3-2-4-12(9)17-13/h2-7H,1H3
InChIKeyHVZDHOWZPVMERE-UHFFFAOYSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine?
The IUPAC name of 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine (CID 155962582) is 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine.
What is the SMILES notation for 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine?
The canonical SMILES for 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine is Cc1ccc(-c2cc3c(F)cccc3s2)nn1.
What is the InChIKey of 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine?
The InChIKey is HVZDHOWZPVMERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c1-8-5-6-11(16-15-8)13-7-9-10(14)3-2-4-12(9)17-13/h2-7H,1H3.
What are the key properties of 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine?
3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine has a molecular weight of 244.29 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-benzothiophen-2-yl)-6-methylpyridazine is sourced from PubChem (CID 155962582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).