4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine

C16H10ClFN2S — CID 6404754

IUPAC4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine
SMILESFc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)cc1
InChIInChI=1S/C16H10ClFN2S/c17-14-10-15(21-13-8-6-12(18)7-9-13)19-20-16(14)11-4-2-1-3-5-11/h1-10H
InChIKeyNUBKPQCVDFSERI-UHFFFAOYSA-N
MW316.79 g/mol
LogP5.09
Rot. Bonds3

About 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine

4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine (PubChem CID 6404754) has the molecular formula C16H10ClFN2S and a molecular weight of 316.79 g/mol. Its IUPAC name is 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine.

Molecular Properties

Compound Name4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine
PubChem CID6404754
Molecular FormulaC16H10ClFN2S
Molecular Weight316.79 g/mol
Exact Mass316.02
IUPAC Name4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine
SMILESFc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)cc1
InChIInChI=1S/C16H10ClFN2S/c17-14-10-15(21-13-8-6-12(18)7-9-13)19-20-16(14)11-4-2-1-3-5-11/h1-10H
InChIKeyNUBKPQCVDFSERI-UHFFFAOYSA-N
XLogP5.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.79
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine?
The IUPAC name of 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine (CID 6404754) is 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine.
What is the SMILES notation for 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine?
The canonical SMILES for 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine is Fc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)cc1.
What is the InChIKey of 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine?
The InChIKey is NUBKPQCVDFSERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2S/c17-14-10-15(21-13-8-6-12(18)7-9-13)19-20-16(14)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine?
4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine has a molecular weight of 316.79 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-fluorophenyl)sulfanyl-3-phenylpyridazine is sourced from PubChem (CID 6404754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).