7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine

C13H9FN2S — CID 175837676

IUPAC7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine
SMILESCc1cc(-c2nncc3ccsc23)ccc1F
InChIInChI=1S/C13H9FN2S/c1-8-6-9(2-3-11(8)14)12-13-10(4-5-17-13)7-15-16-12/h2-7H,1H3
InChIKeyRNBWJMKNWYTHFB-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.81
Rot. Bonds1

About 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine

7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine (PubChem CID 175837676) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine
PubChem CID175837676
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine
SMILESCc1cc(-c2nncc3ccsc23)ccc1F
InChIInChI=1S/C13H9FN2S/c1-8-6-9(2-3-11(8)14)12-13-10(4-5-17-13)7-15-16-12/h2-7H,1H3
InChIKeyRNBWJMKNWYTHFB-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 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine?
The IUPAC name of 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine (CID 175837676) is 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine?
The canonical SMILES for 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine is Cc1cc(-c2nncc3ccsc23)ccc1F.
What is the InChIKey of 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine?
The InChIKey is RNBWJMKNWYTHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c1-8-6-9(2-3-11(8)14)12-13-10(4-5-17-13)7-15-16-12/h2-7H,1H3.
What are the key properties of 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine?
7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine 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 7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 175837676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).