3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine

C10H5ClF2N2S — CID 43395599

IUPAC3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine
SMILESFc1ccc(F)c(Sc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H5ClF2N2S/c11-9-3-4-10(15-14-9)16-8-5-6(12)1-2-7(8)13/h1-5H
InChIKeyVDWCJURFNMYWGJ-UHFFFAOYSA-N
MW258.68 g/mol
LogP3.56
Rot. Bonds2

About 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine

3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine (PubChem CID 43395599) has the molecular formula C10H5ClF2N2S and a molecular weight of 258.68 g/mol. Its IUPAC name is 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine
PubChem CID43395599
Molecular FormulaC10H5ClF2N2S
Molecular Weight258.68 g/mol
Exact Mass257.98
IUPAC Name3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine
SMILESFc1ccc(F)c(Sc2ccc(Cl)nn2)c1
InChIInChI=1S/C10H5ClF2N2S/c11-9-3-4-10(15-14-9)16-8-5-6(12)1-2-7(8)13/h1-5H
InChIKeyVDWCJURFNMYWGJ-UHFFFAOYSA-N
XLogP3.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.68
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine?
The IUPAC name of 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine (CID 43395599) is 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine.
What is the SMILES notation for 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine?
The canonical SMILES for 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine is Fc1ccc(F)c(Sc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine?
The InChIKey is VDWCJURFNMYWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2S/c11-9-3-4-10(15-14-9)16-8-5-6(12)1-2-7(8)13/h1-5H.
What are the key properties of 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine?
3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine has a molecular weight of 258.68 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,5-difluorophenyl)sulfanylpyridazine is sourced from PubChem (CID 43395599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).