4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine

C12H11ClN2O — CID 71818920

IUPAC4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine
SMILESCOc1nnc(-c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C12H11ClN2O/c1-8-3-5-9(6-4-8)11-7-10(13)12(16-2)15-14-11/h3-7H,1-2H3
InChIKeyQUCMAQUJJSJBLV-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.11
Rot. Bonds2

About 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine

4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine (PubChem CID 71818920) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine.

Molecular Properties

Compound Name4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine
PubChem CID71818920
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine
SMILESCOc1nnc(-c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C12H11ClN2O/c1-8-3-5-9(6-4-8)11-7-10(13)12(16-2)15-14-11/h3-7H,1-2H3
InChIKeyQUCMAQUJJSJBLV-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine?
The IUPAC name of 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine (CID 71818920) is 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine.
What is the SMILES notation for 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine?
The canonical SMILES for 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine is COc1nnc(-c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine?
The InChIKey is QUCMAQUJJSJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-8-3-5-9(6-4-8)11-7-10(13)12(16-2)15-14-11/h3-7H,1-2H3.
What are the key properties of 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine?
4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine has a molecular weight of 234.69 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-6-(4-methylphenyl)pyridazine is sourced from PubChem (CID 71818920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).