3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine

C14H15ClN2O3 — CID 22940005

IUPAC3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine
SMILESCOCc1c(Cl)nnc(Oc2ccccc2C)c1OC
InChIInChI=1S/C14H15ClN2O3/c1-9-6-4-5-7-11(9)20-14-12(19-3)10(8-18-2)13(15)16-17-14/h4-7H,8H2,1-3H3
InChIKeyHHLKQLHAKAWADB-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.39
Rot. Bonds5

About 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine

3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine (PubChem CID 22940005) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine
PubChem CID22940005
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine
SMILESCOCc1c(Cl)nnc(Oc2ccccc2C)c1OC
InChIInChI=1S/C14H15ClN2O3/c1-9-6-4-5-7-11(9)20-14-12(19-3)10(8-18-2)13(15)16-17-14/h4-7H,8H2,1-3H3
InChIKeyHHLKQLHAKAWADB-UHFFFAOYSA-N
XLogP3.39
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine?
The IUPAC name of 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine (CID 22940005) is 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine.
What is the SMILES notation for 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine?
The canonical SMILES for 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine is COCc1c(Cl)nnc(Oc2ccccc2C)c1OC.
What is the InChIKey of 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine?
The InChIKey is HHLKQLHAKAWADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-9-6-4-5-7-11(9)20-14-12(19-3)10(8-18-2)13(15)16-17-14/h4-7H,8H2,1-3H3.
What are the key properties of 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine?
3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine has a molecular weight of 294.74 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine is sourced from PubChem (CID 22940005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).