4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine

C8H9ClF2N2O — CID 90091952

IUPAC4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine
SMILESCCOc1nnc(C(F)F)cc1CCl
InChIInChI=1S/C8H9ClF2N2O/c1-2-14-8-5(4-9)3-6(7(10)11)12-13-8/h3,7H,2,4H2,1H3
InChIKeyUAYRNQZYXRROKD-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.55
Rot. Bonds4

About 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine

4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine (PubChem CID 90091952) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine.

Molecular Properties

Compound Name4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine
PubChem CID90091952
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine
SMILESCCOc1nnc(C(F)F)cc1CCl
InChIInChI=1S/C8H9ClF2N2O/c1-2-14-8-5(4-9)3-6(7(10)11)12-13-8/h3,7H,2,4H2,1H3
InChIKeyUAYRNQZYXRROKD-UHFFFAOYSA-N
XLogP2.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine?
The IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine (CID 90091952) is 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine.
What is the SMILES notation for 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine?
The canonical SMILES for 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine is CCOc1nnc(C(F)F)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine?
The InChIKey is UAYRNQZYXRROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-2-14-8-5(4-9)3-6(7(10)11)12-13-8/h3,7H,2,4H2,1H3.
What are the key properties of 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine?
4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine has a molecular weight of 222.62 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(difluoromethyl)-3-ethoxypyridazine is sourced from PubChem (CID 90091952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).