3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine

C11H10ClN3S — CID 63272351

IUPAC3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine
SMILESCc1c(Cl)nnc(Sc2ccccn2)c1C
InChIInChI=1S/C11H10ClN3S/c1-7-8(2)11(15-14-10(7)12)16-9-5-3-4-6-13-9/h3-6H,1-2H3
InChIKeyCXDKAZYSJLOXAP-UHFFFAOYSA-N
MW251.74 g/mol
LogP3.29
Rot. Bonds2

About 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine

3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine (PubChem CID 63272351) has the molecular formula C11H10ClN3S and a molecular weight of 251.74 g/mol. Its IUPAC name is 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine.

Molecular Properties

Compound Name3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine
PubChem CID63272351
Molecular FormulaC11H10ClN3S
Molecular Weight251.74 g/mol
Exact Mass251.03
IUPAC Name3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine
SMILESCc1c(Cl)nnc(Sc2ccccn2)c1C
InChIInChI=1S/C11H10ClN3S/c1-7-8(2)11(15-14-10(7)12)16-9-5-3-4-6-13-9/h3-6H,1-2H3
InChIKeyCXDKAZYSJLOXAP-UHFFFAOYSA-N
XLogP3.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.74
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine?
The IUPAC name of 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine (CID 63272351) is 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine.
What is the SMILES notation for 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine?
The canonical SMILES for 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine is Cc1c(Cl)nnc(Sc2ccccn2)c1C.
What is the InChIKey of 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine?
The InChIKey is CXDKAZYSJLOXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S/c1-7-8(2)11(15-14-10(7)12)16-9-5-3-4-6-13-9/h3-6H,1-2H3.
What are the key properties of 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine?
3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine has a molecular weight of 251.74 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethyl-6-pyridin-2-ylsulfanylpyridazine is sourced from PubChem (CID 63272351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).