3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine

C13H13ClN2O3 — CID 141062507

IUPAC3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine
SMILESCOc1ccccc1Oc1nnc(Cl)c(C)c1OC
InChIInChI=1S/C13H13ClN2O3/c1-8-11(18-3)13(16-15-12(8)14)19-10-7-5-4-6-9(10)17-2/h4-7H,1-3H3
InChIKeyCDCFXOITGOKVJO-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.25
Rot. Bonds4

About 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine

3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine (PubChem CID 141062507) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine.

Molecular Properties

Compound Name3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine
PubChem CID141062507
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine
SMILESCOc1ccccc1Oc1nnc(Cl)c(C)c1OC
InChIInChI=1S/C13H13ClN2O3/c1-8-11(18-3)13(16-15-12(8)14)19-10-7-5-4-6-9(10)17-2/h4-7H,1-3H3
InChIKeyCDCFXOITGOKVJO-UHFFFAOYSA-N
XLogP3.25
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271828
3-chloro-6-(2,3-dimethoxyphenyl)-4,5-dimethylpyridazine
CID 82793955
3-chloro-5-methoxy-4-(methoxymethyl)-6-(2-methylphenoxy)pyridazine
CID 22940005
3-chloro-6-(2-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271999
2-tert-butyl-4-chloro-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80972845
4-chloro-6-(2,6-dimethoxyphenoxy)-2,5-dimethylpyrimidine
CID 63736403
4-chloro-2-cyclopropyl-6-(2-methoxyphenoxy)-5-methylpyrimidine
CID 80973921
6-chloro-N-(2-methoxyphenyl)-N,4,5-trimethylpyridazin-3-amine
CID 55167573
4,6-dichloro-5-(2-methoxyphenoxy)pyrimidine;pyrimidine
CID 87134636
6-chloro-5-(2-methoxyphenoxy)pyrimidin-4-amine
CID 19095701
2,4-dichloro-6-(2-methoxyphenoxy)-1,3,5-triazine
CID 54201901
4-chloro-5-(2-methoxyphenoxy)-6-methyl-2-pyrimidin-2-ylpyrimidine
CID 59532567

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine?
The IUPAC name of 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine (CID 141062507) is 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine.
What is the SMILES notation for 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine?
The canonical SMILES for 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine is COc1ccccc1Oc1nnc(Cl)c(C)c1OC.
What is the InChIKey of 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine?
The InChIKey is CDCFXOITGOKVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-11(18-3)13(16-15-12(8)14)19-10-7-5-4-6-9(10)17-2/h4-7H,1-3H3.
What are the key properties of 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine?
3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine has a molecular weight of 280.71 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-6-(2-methoxyphenoxy)-4-methylpyridazine is sourced from PubChem (CID 141062507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).