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

C12H9ClF2N2O — CID 55169098

IUPAC3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2cc(F)ccc2F)c1C
InChIInChI=1S/C12H9ClF2N2O/c1-6-7(2)12(17-16-11(6)13)18-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3
InChIKeyXNNUZHXQQBWTAE-UHFFFAOYSA-N
MW270.67 g/mol
LogP3.82
Rot. Bonds2

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

3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine (PubChem CID 55169098) has the molecular formula C12H9ClF2N2O and a molecular weight of 270.67 g/mol. Its IUPAC name is 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine
PubChem CID55169098
Molecular FormulaC12H9ClF2N2O
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2cc(F)ccc2F)c1C
InChIInChI=1S/C12H9ClF2N2O/c1-6-7(2)12(17-16-11(6)13)18-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3
InChIKeyXNNUZHXQQBWTAE-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine (CID 55169098) is 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine is Cc1c(Cl)nnc(Oc2cc(F)ccc2F)c1C.
What is the InChIKey of 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine?
The InChIKey is XNNUZHXQQBWTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2N2O/c1-6-7(2)12(17-16-11(6)13)18-10-5-8(14)3-4-9(10)15/h3-5H,1-2H3.
What are the key properties of 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine?
3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine has a molecular weight of 270.67 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,5-difluorophenoxy)-4,5-dimethylpyridazine is sourced from PubChem (CID 55169098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).