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

C13H8ClFN2S — CID 154634762

IUPAC4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine
SMILESCc1cc(-c2nnc(Cl)c3ccsc23)ccc1F
InChIInChI=1S/C13H8ClFN2S/c1-7-6-8(2-3-10(7)15)11-12-9(4-5-18-12)13(14)17-16-11/h2-6H,1H3
InChIKeyAEADNSLFDQPNSH-UHFFFAOYSA-N
MW278.74 g/mol
LogP4.46
Rot. Bonds1

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

4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine (PubChem CID 154634762) has the molecular formula C13H8ClFN2S and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine
PubChem CID154634762
Molecular FormulaC13H8ClFN2S
Molecular Weight278.74 g/mol
Exact Mass278.01
IUPAC Name4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine
SMILESCc1cc(-c2nnc(Cl)c3ccsc23)ccc1F
InChIInChI=1S/C13H8ClFN2S/c1-7-6-8(2-3-10(7)15)11-12-9(4-5-18-12)13(14)17-16-11/h2-6H,1H3
InChIKeyAEADNSLFDQPNSH-UHFFFAOYSA-N
XLogP4.46
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine?
The IUPAC name of 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine (CID 154634762) is 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine.
What is the SMILES notation for 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine?
The canonical SMILES for 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine is Cc1cc(-c2nnc(Cl)c3ccsc23)ccc1F.
What is the InChIKey of 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine?
The InChIKey is AEADNSLFDQPNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2S/c1-7-6-8(2-3-10(7)15)11-12-9(4-5-18-12)13(14)17-16-11/h2-6H,1H3.
What are the key properties of 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine?
4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine has a molecular weight of 278.74 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(4-fluoro-3-methylphenyl)thieno[2,3-d]pyridazine is sourced from PubChem (CID 154634762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).