2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol

C12H10ClFN2OS — CID 175852013

IUPAC2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol
SMILESOCCSc1ccc(-c2cc(Cl)ccc2F)nn1
InChIInChI=1S/C12H10ClFN2OS/c13-8-1-2-10(14)9(7-8)11-3-4-12(16-15-11)18-6-5-17/h1-4,7,17H,5-6H2
InChIKeyYCKXGDRFKVZLKB-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.02
Rot. Bonds4

About 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol

2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol (PubChem CID 175852013) has the molecular formula C12H10ClFN2OS and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol
PubChem CID175852013
Molecular FormulaC12H10ClFN2OS
Molecular Weight284.74 g/mol
Exact Mass284.02
IUPAC Name2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol
SMILESOCCSc1ccc(-c2cc(Cl)ccc2F)nn1
InChIInChI=1S/C12H10ClFN2OS/c13-8-1-2-10(14)9(7-8)11-3-4-12(16-15-11)18-6-5-17/h1-4,7,17H,5-6H2
InChIKeyYCKXGDRFKVZLKB-UHFFFAOYSA-N
XLogP3.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol?
The IUPAC name of 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol (CID 175852013) is 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol.
What is the SMILES notation for 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol?
The canonical SMILES for 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol is OCCSc1ccc(-c2cc(Cl)ccc2F)nn1.
What is the InChIKey of 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol?
The InChIKey is YCKXGDRFKVZLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2OS/c13-8-1-2-10(14)9(7-8)11-3-4-12(16-15-11)18-6-5-17/h1-4,7,17H,5-6H2.
What are the key properties of 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol?
2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol has a molecular weight of 284.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-chloro-2-fluorophenyl)pyridazin-3-yl]sulfanylethanol is sourced from PubChem (CID 175852013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).