3-chloro-4-methyl-6-thiophen-2-ylpyridazine

C9H7ClN2S — CID 13258487

IUPAC3-chloro-4-methyl-6-thiophen-2-ylpyridazine
SMILESCc1cc(-c2cccs2)nnc1Cl
InChIInChI=1S/C9H7ClN2S/c1-6-5-7(11-12-9(6)10)8-3-2-4-13-8/h2-5H,1H3
InChIKeyVPNGLLJBAXZKOA-UHFFFAOYSA-N
MW210.69 g/mol
LogP3.17
Rot. Bonds1

About 3-chloro-4-methyl-6-thiophen-2-ylpyridazine

3-chloro-4-methyl-6-thiophen-2-ylpyridazine (PubChem CID 13258487) has the molecular formula C9H7ClN2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 3-chloro-4-methyl-6-thiophen-2-ylpyridazine.

Molecular Properties

Compound Name3-chloro-4-methyl-6-thiophen-2-ylpyridazine
PubChem CID13258487
Molecular FormulaC9H7ClN2S
Molecular Weight210.69 g/mol
Exact Mass210.00
IUPAC Name3-chloro-4-methyl-6-thiophen-2-ylpyridazine
SMILESCc1cc(-c2cccs2)nnc1Cl
InChIInChI=1S/C9H7ClN2S/c1-6-5-7(11-12-9(6)10)8-3-2-4-13-8/h2-5H,1H3
InChIKeyVPNGLLJBAXZKOA-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-6-thiophen-2-ylpyridazine?
The IUPAC name of 3-chloro-4-methyl-6-thiophen-2-ylpyridazine (CID 13258487) is 3-chloro-4-methyl-6-thiophen-2-ylpyridazine.
What is the SMILES notation for 3-chloro-4-methyl-6-thiophen-2-ylpyridazine?
The canonical SMILES for 3-chloro-4-methyl-6-thiophen-2-ylpyridazine is Cc1cc(-c2cccs2)nnc1Cl.
What is the InChIKey of 3-chloro-4-methyl-6-thiophen-2-ylpyridazine?
The InChIKey is VPNGLLJBAXZKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S/c1-6-5-7(11-12-9(6)10)8-3-2-4-13-8/h2-5H,1H3.
What are the key properties of 3-chloro-4-methyl-6-thiophen-2-ylpyridazine?
3-chloro-4-methyl-6-thiophen-2-ylpyridazine has a molecular weight of 210.69 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-6-thiophen-2-ylpyridazine is sourced from PubChem (CID 13258487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).