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

C12H9Cl3N2O — CID 55168913

IUPAC3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C12H9Cl3N2O/c1-6-7(2)12(17-16-11(6)15)18-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3
InChIKeyYNKWKQGHVJQQGE-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.85
Rot. Bonds2

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

3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine (PubChem CID 55168913) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
PubChem CID55168913
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccc(Cl)cc2Cl)c1C
InChIInChI=1S/C12H9Cl3N2O/c1-6-7(2)12(17-16-11(6)15)18-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3
InChIKeyYNKWKQGHVJQQGE-UHFFFAOYSA-N
XLogP4.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine
CID 55168907
3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine
CID 102981541
4-chloro-2-cyclopropyl-6-(2,4-dichlorophenoxy)-5-methylpyrimidine
CID 80973423
2,6-dichloro-4,8-bis(2,4-dichlorophenoxy)pyrimido[5,4-d]pyrimidine
CID 13059758
3-chloro-6-(3,5-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271701
3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271828
3-chloro-6-[(5-chloro-3-pyridinyl)oxy]-4,5-dimethylpyridazine
CID 64601172
6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
CID 67363152
3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile
CID 107657775
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
3-(2,4-dichlorophenoxy)pyridazine-4-carbonitrile
CID 80510174
1-chloro-4-(2,5-dichlorophenoxy)phthalazine
CID 62140044

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine (CID 55168913) is 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine is Cc1c(Cl)nnc(Oc2ccc(Cl)cc2Cl)c1C.
What is the InChIKey of 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine?
The InChIKey is YNKWKQGHVJQQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-6-7(2)12(17-16-11(6)15)18-10-4-3-8(13)5-9(10)14/h3-5H,1-2H3.
What are the key properties of 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine?
3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine has a molecular weight of 303.58 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine is sourced from PubChem (CID 55168913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).