3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine

C13H13ClN2O — CID 139270709

IUPAC3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine
SMILESCCc1cc(-c2ccccc2OC)nnc1Cl
InChIInChI=1S/C13H13ClN2O/c1-3-9-8-11(15-16-13(9)14)10-6-4-5-7-12(10)17-2/h4-8H,3H2,1-2H3
InChIKeyYZUARLPEPYAVPV-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.37
Rot. Bonds3

About 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine

3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine (PubChem CID 139270709) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine
PubChem CID139270709
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine
SMILESCCc1cc(-c2ccccc2OC)nnc1Cl
InChIInChI=1S/C13H13ClN2O/c1-3-9-8-11(15-16-13(9)14)10-6-4-5-7-12(10)17-2/h4-8H,3H2,1-2H3
InChIKeyYZUARLPEPYAVPV-UHFFFAOYSA-N
XLogP3.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine?
The IUPAC name of 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine (CID 139270709) is 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine.
What is the SMILES notation for 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine?
The canonical SMILES for 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine is CCc1cc(-c2ccccc2OC)nnc1Cl.
What is the InChIKey of 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine?
The InChIKey is YZUARLPEPYAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-3-9-8-11(15-16-13(9)14)10-6-4-5-7-12(10)17-2/h4-8H,3H2,1-2H3.
What are the key properties of 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine?
3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine has a molecular weight of 248.71 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethyl-6-(2-methoxyphenyl)pyridazine is sourced from PubChem (CID 139270709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).