3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine

C17H12BrClN2S — CID 43936866

IUPAC3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
SMILESClc1cccc(CSc2ccc(-c3ccc(Br)cc3)nn2)c1
InChIInChI=1S/C17H12BrClN2S/c18-14-6-4-13(5-7-14)16-8-9-17(21-20-16)22-11-12-2-1-3-15(19)10-12/h1-10H,11H2
InChIKeyBMUUDESZKYTXQV-UHFFFAOYSA-N
MW391.72 g/mol
LogP5.85
Rot. Bonds4

About 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine

3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine (PubChem CID 43936866) has the molecular formula C17H12BrClN2S and a molecular weight of 391.72 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
PubChem CID43936866
Molecular FormulaC17H12BrClN2S
Molecular Weight391.72 g/mol
Exact Mass389.96
IUPAC Name3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine
SMILESClc1cccc(CSc2ccc(-c3ccc(Br)cc3)nn2)c1
InChIInChI=1S/C17H12BrClN2S/c18-14-6-4-13(5-7-14)16-8-9-17(21-20-16)22-11-12-2-1-3-15(19)10-12/h1-10H,11H2
InChIKeyBMUUDESZKYTXQV-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.72
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridazine
CID 43936867
3-[(3-chlorophenyl)methylsulfanyl]-6-(2-methoxyphenyl)pyridazine
CID 7206088
3-(4-ethylphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 43936851
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-pyridin-4-ylpyridazine
CID 41084936
3-[(6-phenylpyridazin-3-yl)sulfanylmethyl]benzoic acid
CID 42763696
3-(4-ethoxyphenyl)-6-[(3-methylphenyl)methylsulfanyl]pyridazine
CID 7205927
3-(4-bromophenyl)-5-[(3-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
CID 19729460
3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-dimethylphenyl)pyridazine
CID 43937023
3-[(3-methylphenyl)methylsulfanyl]-6-(4-pyrazol-1-ylphenyl)pyridazine
CID 41005999
6-(4-chlorophenyl)-3-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 16821183
3-(4-chlorophenyl)-6-[(3-chlorophenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 43935636
N-[(2S)-3-methylbutan-2-yl]-3-[[6-(4-methylphenyl)pyridazin-3-yl]sulfanylmethyl]benzamide
CID 6402544

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine (CID 43936866) is 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine is Clc1cccc(CSc2ccc(-c3ccc(Br)cc3)nn2)c1.
What is the InChIKey of 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine?
The InChIKey is BMUUDESZKYTXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2S/c18-14-6-4-13(5-7-14)16-8-9-17(21-20-16)22-11-12-2-1-3-15(19)10-12/h1-10H,11H2.
What are the key properties of 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine?
3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine has a molecular weight of 391.72 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-[(3-chlorophenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 43936866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).