3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine

C11H7ClF3N3O — CID 141374758

IUPAC3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine
SMILESFC(F)(F)COc1ncccc1-c1cnnc(Cl)c1
InChIInChI=1S/C11H7ClF3N3O/c12-9-4-7(5-17-18-9)8-2-1-3-16-10(8)19-6-11(13,14)15/h1-5H,6H2
InChIKeyZGLQQHKEIJSPMF-UHFFFAOYSA-N
MW289.64 g/mol
LogP3.13
Rot. Bonds3

About 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine

3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine (PubChem CID 141374758) has the molecular formula C11H7ClF3N3O and a molecular weight of 289.64 g/mol. Its IUPAC name is 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine.

Molecular Properties

Compound Name3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine
PubChem CID141374758
Molecular FormulaC11H7ClF3N3O
Molecular Weight289.64 g/mol
Exact Mass289.02
IUPAC Name3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine
SMILESFC(F)(F)COc1ncccc1-c1cnnc(Cl)c1
InChIInChI=1S/C11H7ClF3N3O/c12-9-4-7(5-17-18-9)8-2-1-3-16-10(8)19-6-11(13,14)15/h1-5H,6H2
InChIKeyZGLQQHKEIJSPMF-UHFFFAOYSA-N
XLogP3.13
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.64
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine?
The IUPAC name of 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine (CID 141374758) is 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine.
What is the SMILES notation for 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine?
The canonical SMILES for 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine is FC(F)(F)COc1ncccc1-c1cnnc(Cl)c1.
What is the InChIKey of 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine?
The InChIKey is ZGLQQHKEIJSPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3O/c12-9-4-7(5-17-18-9)8-2-1-3-16-10(8)19-6-11(13,14)15/h1-5H,6H2.
What are the key properties of 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine?
3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine has a molecular weight of 289.64 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridazine is sourced from PubChem (CID 141374758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).