4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine

C8H8BrClN2S — CID 117105037

IUPAC4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine
SMILESClc1nnc(C2CCSC2)cc1Br
InChIInChI=1S/C8H8BrClN2S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeyCQCSPGJVJGGBLI-UHFFFAOYSA-N
MW279.59 g/mol
LogP3.11
Rot. Bonds1

About 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine

4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine (PubChem CID 117105037) has the molecular formula C8H8BrClN2S and a molecular weight of 279.59 g/mol. Its IUPAC name is 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine.

Molecular Properties

Compound Name4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine
PubChem CID117105037
Molecular FormulaC8H8BrClN2S
Molecular Weight279.59 g/mol
Exact Mass277.93
IUPAC Name4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine
SMILESClc1nnc(C2CCSC2)cc1Br
InChIInChI=1S/C8H8BrClN2S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2
InChIKeyCQCSPGJVJGGBLI-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.59
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Bromothiophen-3-yl)-6-chloropyridazine
CID 79601682
3-Chloro-6-[(3-methylcyclohexyl)sulfanylmethyl]pyridazine
CID 104514371
3-Chloro-6-(cyclopentylmethylsulfanylmethyl)pyridazine
CID 104514382
3-Chloro-6-(3-methylbutan-2-ylsulfanylmethyl)pyridazine
CID 107747457
3-Chloro-6-(2-methylbutylsulfanylmethyl)pyridazine
CID 107747475
3-Chloro-6-(3-methylbutylsulfanylmethyl)pyridazine
CID 107747492
3-(6-Chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105009
3-(5,6-Dichloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105017
3-(5-Bromo-6-chloropyridazin-3-yl)thiolane 1,1-dioxide
CID 117105021
3-Chloro-6-(thiolan-3-yl)pyridazine
CID 117105025
3-Chloro-6-(thiolan-3-yl)pyridazin-4-amine
CID 117105029
5-Chloro-3-(thiolan-3-yl)pyridazine
CID 117105030

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine?
The IUPAC name of 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine (CID 117105037) is 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine.
What is the SMILES notation for 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine?
The canonical SMILES for 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine is Clc1nnc(C2CCSC2)cc1Br.
What is the InChIKey of 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine?
The InChIKey is CQCSPGJVJGGBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2S/c9-6-3-7(11-12-8(6)10)5-1-2-13-4-5/h3,5H,1-2,4H2.
What are the key properties of 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine?
4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine has a molecular weight of 279.59 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-6-(thiolan-3-yl)pyridazine is sourced from PubChem (CID 117105037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).