3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine

C13H13ClN2O — CID 131953502

IUPAC3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
SMILESCOc1nnc(-c2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C13H13ClN2O/c1-8-9(2)13(17-3)16-15-12(8)10-4-6-11(14)7-5-10/h4-7H,1-3H3
InChIKeyPROOZMFBOUKEMX-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.42
Rot. Bonds2

About 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine

3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine (PubChem CID 131953502) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
PubChem CID131953502
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine
SMILESCOc1nnc(-c2ccc(Cl)cc2)c(C)c1C
InChIInChI=1S/C13H13ClN2O/c1-8-9(2)13(17-3)16-15-12(8)10-4-6-11(14)7-5-10/h4-7H,1-3H3
InChIKeyPROOZMFBOUKEMX-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine?
The IUPAC name of 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine (CID 131953502) is 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine is COc1nnc(-c2ccc(Cl)cc2)c(C)c1C.
What is the InChIKey of 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine?
The InChIKey is PROOZMFBOUKEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-9(2)13(17-3)16-15-12(8)10-4-6-11(14)7-5-10/h4-7H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine?
3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine has a molecular weight of 248.71 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methoxy-4,5-dimethylpyridazine is sourced from PubChem (CID 131953502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).