3-chloro-6-(2,5-dimethylphenoxy)pyridazine

C12H11ClN2O — CID 60675027

IUPAC3-chloro-6-(2,5-dimethylphenoxy)pyridazine
SMILESCc1ccc(C)c(Oc2ccc(Cl)nn2)c1
InChIInChI=1S/C12H11ClN2O/c1-8-3-4-9(2)10(7-8)16-12-6-5-11(13)14-15-12/h3-7H,1-2H3
InChIKeyRTCVXCKAPBLUEK-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.54
Rot. Bonds2

About 3-chloro-6-(2,5-dimethylphenoxy)pyridazine

3-chloro-6-(2,5-dimethylphenoxy)pyridazine (PubChem CID 60675027) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-chloro-6-(2,5-dimethylphenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,5-dimethylphenoxy)pyridazine
PubChem CID60675027
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-chloro-6-(2,5-dimethylphenoxy)pyridazine
SMILESCc1ccc(C)c(Oc2ccc(Cl)nn2)c1
InChIInChI=1S/C12H11ClN2O/c1-8-3-4-9(2)10(7-8)16-12-6-5-11(13)14-15-12/h3-7H,1-2H3
InChIKeyRTCVXCKAPBLUEK-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,5-dimethylphenoxy)pyridazine?
The IUPAC name of 3-chloro-6-(2,5-dimethylphenoxy)pyridazine (CID 60675027) is 3-chloro-6-(2,5-dimethylphenoxy)pyridazine.
What is the SMILES notation for 3-chloro-6-(2,5-dimethylphenoxy)pyridazine?
The canonical SMILES for 3-chloro-6-(2,5-dimethylphenoxy)pyridazine is Cc1ccc(C)c(Oc2ccc(Cl)nn2)c1.
What is the InChIKey of 3-chloro-6-(2,5-dimethylphenoxy)pyridazine?
The InChIKey is RTCVXCKAPBLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-3-4-9(2)10(7-8)16-12-6-5-11(13)14-15-12/h3-7H,1-2H3.
What are the key properties of 3-chloro-6-(2,5-dimethylphenoxy)pyridazine?
3-chloro-6-(2,5-dimethylphenoxy)pyridazine has a molecular weight of 234.69 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,5-dimethylphenoxy)pyridazine is sourced from PubChem (CID 60675027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).