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

C16H11ClFN3S — CID 20900510

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESFc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C16H11ClFN3S/c17-12-4-3-5-13(18)11(12)10-22-16-8-7-15(20-21-16)14-6-1-2-9-19-14/h1-9H,10H2
InChIKeyDCLFFJASADCESO-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.62
Rot. Bonds4

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

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 20900510) has the molecular formula C16H11ClFN3S and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID20900510
Molecular FormulaC16H11ClFN3S
Molecular Weight331.80 g/mol
Exact Mass331.03
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESFc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C16H11ClFN3S/c17-12-4-3-5-13(18)11(12)10-22-16-8-7-15(20-21-16)14-6-1-2-9-19-14/h1-9H,10H2
InChIKeyDCLFFJASADCESO-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-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (CID 20900510) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is Fc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is DCLFFJASADCESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3S/c17-12-4-3-5-13(18)11(12)10-22-16-8-7-15(20-21-16)14-6-1-2-9-19-14/h1-9H,10H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[(2-chloro-6-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-6-fluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 20900510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).