3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine

C14H15ClN2O3 — CID 63271828

IUPAC3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine
SMILESCOc1cccc(OC)c1Oc1nnc(Cl)c(C)c1C
InChIInChI=1S/C14H15ClN2O3/c1-8-9(2)14(17-16-13(8)15)20-12-10(18-3)6-5-7-11(12)19-4/h5-7H,1-4H3
InChIKeyUDPFQHJRYRJEML-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.56
Rot. Bonds4

About 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine

3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine (PubChem CID 63271828) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine
PubChem CID63271828
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine
SMILESCOc1cccc(OC)c1Oc1nnc(Cl)c(C)c1C
InChIInChI=1S/C14H15ClN2O3/c1-8-9(2)14(17-16-13(8)15)20-12-10(18-3)6-5-7-11(12)19-4/h5-7H,1-4H3
InChIKeyUDPFQHJRYRJEML-UHFFFAOYSA-N
XLogP3.56
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine (CID 63271828) is 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine is COc1cccc(OC)c1Oc1nnc(Cl)c(C)c1C.
What is the InChIKey of 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine?
The InChIKey is UDPFQHJRYRJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-8-9(2)14(17-16-13(8)15)20-12-10(18-3)6-5-7-11(12)19-4/h5-7H,1-4H3.
What are the key properties of 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine?
3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine has a molecular weight of 294.74 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine is sourced from PubChem (CID 63271828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).