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

C16H10BrClN2S — CID 6413389

IUPAC6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine
SMILESClc1cc(Sc2ccc(Br)cc2)nnc1-c1ccccc1
InChIInChI=1S/C16H10BrClN2S/c17-12-6-8-13(9-7-12)21-15-10-14(18)16(20-19-15)11-4-2-1-3-5-11/h1-10H
InChIKeyZIKJYYQTRBATKZ-UHFFFAOYSA-N
MW377.69 g/mol
LogP5.71
Rot. Bonds3

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

6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine (PubChem CID 6413389) has the molecular formula C16H10BrClN2S and a molecular weight of 377.69 g/mol. Its IUPAC name is 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine.

Molecular Properties

Compound Name6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine
PubChem CID6413389
Molecular FormulaC16H10BrClN2S
Molecular Weight377.69 g/mol
Exact Mass375.94
IUPAC Name6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine
SMILESClc1cc(Sc2ccc(Br)cc2)nnc1-c1ccccc1
InChIInChI=1S/C16H10BrClN2S/c17-12-6-8-13(9-7-12)21-15-10-14(18)16(20-19-15)11-4-2-1-3-5-11/h1-10H
InChIKeyZIKJYYQTRBATKZ-UHFFFAOYSA-N
XLogP5.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.69
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine?
The IUPAC name of 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine (CID 6413389) is 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine.
What is the SMILES notation for 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine?
The canonical SMILES for 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine is Clc1cc(Sc2ccc(Br)cc2)nnc1-c1ccccc1.
What is the InChIKey of 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine?
The InChIKey is ZIKJYYQTRBATKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClN2S/c17-12-6-8-13(9-7-12)21-15-10-14(18)16(20-19-15)11-4-2-1-3-5-11/h1-10H.
What are the key properties of 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine?
6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine has a molecular weight of 377.69 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)sulfanyl-4-chloro-3-phenylpyridazine is sourced from PubChem (CID 6413389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).