3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine

C12H13ClN2O3 — CID 123451391

IUPAC3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine
SMILESCOc1ccc(OC2=NN=C(Cl)CC2)cc1OC
InChIInChI=1S/C12H13ClN2O3/c1-16-9-4-3-8(7-10(9)17-2)18-12-6-5-11(13)14-15-12/h3-4,7H,5-6H2,1-2H3
InChIKeySIJYJMJIGVIFJP-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.83
Rot. Bonds3

About 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine

3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine (PubChem CID 123451391) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine.

Molecular Properties

Compound Name3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine
PubChem CID123451391
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine
SMILESCOc1ccc(OC2=NN=C(Cl)CC2)cc1OC
InChIInChI=1S/C12H13ClN2O3/c1-16-9-4-3-8(7-10(9)17-2)18-12-6-5-11(13)14-15-12/h3-4,7H,5-6H2,1-2H3
InChIKeySIJYJMJIGVIFJP-UHFFFAOYSA-N
XLogP2.83
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine?
The IUPAC name of 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine (CID 123451391) is 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine.
What is the SMILES notation for 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine?
The canonical SMILES for 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine is COc1ccc(OC2=NN=C(Cl)CC2)cc1OC.
What is the InChIKey of 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine?
The InChIKey is SIJYJMJIGVIFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-16-9-4-3-8(7-10(9)17-2)18-12-6-5-11(13)14-15-12/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine?
3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine has a molecular weight of 268.70 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,4-dimethoxyphenoxy)-4,5-dihydropyridazine is sourced from PubChem (CID 123451391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).