3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine

C13H12ClFN2O — CID 102981541

IUPAC3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine
SMILESCc1ccc(F)cc1Oc1nnc(Cl)c(C)c1C
InChIInChI=1S/C13H12ClFN2O/c1-7-4-5-10(15)6-11(7)18-13-9(3)8(2)12(14)16-17-13/h4-6H,1-3H3
InChIKeyZSCXENHOWPKFDQ-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.99
Rot. Bonds2

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

3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine (PubChem CID 102981541) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine
PubChem CID102981541
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine
SMILESCc1ccc(F)cc1Oc1nnc(Cl)c(C)c1C
InChIInChI=1S/C13H12ClFN2O/c1-7-4-5-10(15)6-11(7)18-13-9(3)8(2)12(14)16-17-13/h4-6H,1-3H3
InChIKeyZSCXENHOWPKFDQ-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-6-(4-fluorophenoxy)-4,5-dimethylpyridazine
CID 55168912
3-(2-bromo-4-fluorophenoxy)-6-chloro-4,5-dimethylpyridazine
CID 55168907
3-(6-chloro-4,5-dimethylpyridazin-3-yl)oxy-4-methylbenzonitrile
CID 107657775
3-chloro-6-(2,4-dichlorophenoxy)-4,5-dimethylpyridazine
CID 55168913
3-chloro-6-(2,6-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271828
3,5-dichloro-6-(5-fluoro-2-methylphenoxy)-N-propylpyridin-2-amine
CID 102989029
3-chloro-6-(2-ethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271999
3-chloro-6-(3,5-dimethoxyphenoxy)-4,5-dimethylpyridazine
CID 63271701
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
2-(chloromethyl)-4-fluoro-1-(5-fluoro-2-methylphenoxy)benzene
CID 102989965
1-chloro-4-(2,5-dimethylphenoxy)phthalazine
CID 62140788
4-chloro-2-(5-fluoro-2-methylphenoxy)-1,3-thiazole-5-carboxylic acid
CID 102989826

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine (CID 102981541) is 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine is Cc1ccc(F)cc1Oc1nnc(Cl)c(C)c1C.
What is the InChIKey of 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine?
The InChIKey is ZSCXENHOWPKFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7-4-5-10(15)6-11(7)18-13-9(3)8(2)12(14)16-17-13/h4-6H,1-3H3.
What are the key properties of 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine?
3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine has a molecular weight of 266.70 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(5-fluoro-2-methylphenoxy)-4,5-dimethylpyridazine is sourced from PubChem (CID 102981541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).