3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

C16H11ClFN3S — CID 56661677

IUPAC3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESFc1ccc(CSc2ccc(-c3ccccn3)nn2)c(Cl)c1
InChIInChI=1S/C16H11ClFN3S/c17-13-9-12(18)5-4-11(13)10-22-16-7-6-15(20-21-16)14-3-1-2-8-19-14/h1-9H,10H2
InChIKeyWZIDGLXFZNKMFU-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.62
Rot. Bonds4

About 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 56661677) has the molecular formula C16H11ClFN3S and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID56661677
Molecular FormulaC16H11ClFN3S
Molecular Weight331.80 g/mol
Exact Mass331.03
IUPAC Name3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESFc1ccc(CSc2ccc(-c3ccccn3)nn2)c(Cl)c1
InChIInChI=1S/C16H11ClFN3S/c17-13-9-12(18)5-4-11(13)10-22-16-7-6-15(20-21-16)14-3-1-2-8-19-14/h1-9H,10H2
InChIKeyWZIDGLXFZNKMFU-UHFFFAOYSA-N
XLogP4.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (CID 56661677) is 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is Fc1ccc(CSc2ccc(-c3ccccn3)nn2)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is WZIDGLXFZNKMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3S/c17-13-9-12(18)5-4-11(13)10-22-16-7-6-15(20-21-16)14-3-1-2-8-19-14/h1-9H,10H2.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine has a molecular weight of 331.80 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 56661677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).