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

C12H10ClFN2O — CID 63272085

IUPAC3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccccc2F)c1C
InChIInChI=1S/C12H10ClFN2O/c1-7-8(2)12(16-15-11(7)13)17-10-6-4-3-5-9(10)14/h3-6H,1-2H3
InChIKeyMIPDTUYKOHRMMV-UHFFFAOYSA-N
MW252.68 g/mol
LogP3.68
Rot. Bonds2

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

3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine (PubChem CID 63272085) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine.

Molecular Properties

Compound Name3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine
PubChem CID63272085
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine
SMILESCc1c(Cl)nnc(Oc2ccccc2F)c1C
InChIInChI=1S/C12H10ClFN2O/c1-7-8(2)12(16-15-11(7)13)17-10-6-4-3-5-9(10)14/h3-6H,1-2H3
InChIKeyMIPDTUYKOHRMMV-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine?
The IUPAC name of 3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine (CID 63272085) is 3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine.
What is the SMILES notation for 3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine?
The canonical SMILES for 3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine is Cc1c(Cl)nnc(Oc2ccccc2F)c1C.
What is the InChIKey of 3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine?
The InChIKey is MIPDTUYKOHRMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-7-8(2)12(16-15-11(7)13)17-10-6-4-3-5-9(10)14/h3-6H,1-2H3.
What are the key properties of 3-chloro-6-(2-fluorophenoxy)-4,5-dimethylpyridazine?
3-chloro-6-(2-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-(2-fluorophenoxy)-4,5-dimethylpyridazine is sourced from PubChem (CID 63272085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).