3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine

C12H10ClFN2O — CID 55168912

IUPAC3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccc(F)cc2)c1C
InChIInChI=1S/C12H10ClFN2O/c1-7-8(2)12(16-15-11(7)13)17-10-5-3-9(14)4-6-10/h3-6H,1-2H3
InChIKeyBOVMFTPIGKKPKH-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.68
Rot. Bonds2

About 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine

3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine (PubChem CID 55168912) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine
PubChem CID55168912
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccc(F)cc2)c1C
InChIInChI=1S/C12H10ClFN2O/c1-7-8(2)12(16-15-11(7)13)17-10-5-3-9(14)4-6-10/h3-6H,1-2H3
InChIKeyBOVMFTPIGKKPKH-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine
CID 102981541
3-chloro-6-(4-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271914
3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine
CID 55168907
3-(4-butylphenoxy)-6-chloro-4,5-dimethylpyridazine
CID 115492558
3-(4-butan-2-ylphenoxy)-6-chloro-4,5-dimethylpyridazine
CID 107664592
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
3-chloro-6-(2-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271999
3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
CID 55168913
3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile
CID 107657775
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine (CID 55168912) is 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine is Cc1c(Cl)nnc(Oc2ccc(F)cc2)c1C.
What is the InChIKey of 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine?
The InChIKey is BOVMFTPIGKKPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-7-8(2)12(16-15-11(7)13)17-10-5-3-9(14)4-6-10/h3-6H,1-2H3.
What are the key properties of 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine?
3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine has a molecular weight of 252.68 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine is sourced from PubChem (CID 55168912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).