3-chloro-6-(4-propoxyphenoxy)pyridazine

C13H13ClN2O2 — CID 60674904

IUPAC3-chloro-6-(4-propoxyphenoxy)pyridazine
SMILESCCCOc1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C13H13ClN2O2/c1-2-9-17-10-3-5-11(6-4-10)18-13-8-7-12(14)15-16-13/h3-8H,2,9H2,1H3
InChIKeyZFKUTQSMLHNNCY-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.71
Rot. Bonds5

About 3-chloro-6-(4-propoxyphenoxy)pyridazine

3-chloro-6-(4-propoxyphenoxy)pyridazine (PubChem CID 60674904) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-chloro-6-(4-propoxyphenoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-propoxyphenoxy)pyridazine
PubChem CID60674904
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-chloro-6-(4-propoxyphenoxy)pyridazine
SMILESCCCOc1ccc(Oc2ccc(Cl)nn2)cc1
InChIInChI=1S/C13H13ClN2O2/c1-2-9-17-10-3-5-11(6-4-10)18-13-8-7-12(14)15-16-13/h3-8H,2,9H2,1H3
InChIKeyZFKUTQSMLHNNCY-UHFFFAOYSA-N
XLogP3.71
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-propoxyphenoxy)pyridazine-3-carboxylic acid
CID 60790691
3-chloro-6-phenoxypyridazine;3,6-dichloropyridazine
CID 87882017
3-[2-(4-butoxyphenyl)ethynyl]-6-chloropyridazine
CID 19984855
3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine
CID 61268789
3-chloro-6-[4-(2,2-dichloroethenyl)phenoxy]pyridazine
CID 134116481
2-fluoro-6-(4-propoxyphenoxy)pyridine
CID 61229354
6-(4-propoxyphenoxy)pyridin-2-amine
CID 80653556
(E)-1-[4-[5-(6-chloropyridazin-3-yl)oxypentoxy]phenyl]-N-ethoxymethanimine
CID 11820842
3-(3-bromo-4-methoxyphenoxy)-6-chloropyridazine
CID 87574590
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
CID 79632151
3-chloro-6-(3-methoxyphenoxy)pyridazine
CID 13321729
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-propoxyphenoxy)pyridazine?
The IUPAC name of 3-chloro-6-(4-propoxyphenoxy)pyridazine (CID 60674904) is 3-chloro-6-(4-propoxyphenoxy)pyridazine.
What is the SMILES notation for 3-chloro-6-(4-propoxyphenoxy)pyridazine?
The canonical SMILES for 3-chloro-6-(4-propoxyphenoxy)pyridazine is CCCOc1ccc(Oc2ccc(Cl)nn2)cc1.
What is the InChIKey of 3-chloro-6-(4-propoxyphenoxy)pyridazine?
The InChIKey is ZFKUTQSMLHNNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-9-17-10-3-5-11(6-4-10)18-13-8-7-12(14)15-16-13/h3-8H,2,9H2,1H3.
What are the key properties of 3-chloro-6-(4-propoxyphenoxy)pyridazine?
3-chloro-6-(4-propoxyphenoxy)pyridazine has a molecular weight of 264.71 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-propoxyphenoxy)pyridazine is sourced from PubChem (CID 60674904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).