4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

C13H6ClF3N2S — CID 154634198

IUPAC4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESFC(F)(F)c1cccc(-c2nnc(Cl)c3ccsc23)c1
InChIInChI=1S/C13H6ClF3N2S/c14-12-9-4-5-20-11(9)10(18-19-12)7-2-1-3-8(6-7)13(15,16)17/h1-6H
InChIKeyAQJRYJXLSHETKP-UHFFFAOYSA-N
MW314.72 g/mol
LogP5.03
Rot. Bonds1

About 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine

4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (PubChem CID 154634198) has the molecular formula C13H6ClF3N2S and a molecular weight of 314.72 g/mol. Its IUPAC name is 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.

Molecular Properties

Compound Name4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
PubChem CID154634198
Molecular FormulaC13H6ClF3N2S
Molecular Weight314.72 g/mol
Exact Mass313.99
IUPAC Name4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine
SMILESFC(F)(F)c1cccc(-c2nnc(Cl)c3ccsc23)c1
InChIInChI=1S/C13H6ClF3N2S/c14-12-9-4-5-20-11(9)10(18-19-12)7-2-1-3-8(6-7)13(15,16)17/h1-6H
InChIKeyAQJRYJXLSHETKP-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.72
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The IUPAC name of 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine (CID 154634198) is 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine.
What is the SMILES notation for 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The canonical SMILES for 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is FC(F)(F)c1cccc(-c2nnc(Cl)c3ccsc23)c1.
What is the InChIKey of 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
The InChIKey is AQJRYJXLSHETKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2S/c14-12-9-4-5-20-11(9)10(18-19-12)7-2-1-3-8(6-7)13(15,16)17/h1-6H.
What are the key properties of 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine?
4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine has a molecular weight of 314.72 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazine is sourced from PubChem (CID 154634198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).