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

C7H7ClF2N2O — CID 86715321

IUPAC4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine
SMILESCOc1nnc(C(F)F)cc1CCl
InChIInChI=1S/C7H7ClF2N2O/c1-13-7-4(3-8)2-5(6(9)10)11-12-7/h2,6H,3H2,1H3
InChIKeyOXCHCCNIRHYPFL-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.16
Rot. Bonds3

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

4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine (PubChem CID 86715321) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine.

Molecular Properties

Compound Name4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine
PubChem CID86715321
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine
SMILESCOc1nnc(C(F)F)cc1CCl
InChIInChI=1S/C7H7ClF2N2O/c1-13-7-4(3-8)2-5(6(9)10)11-12-7/h2,6H,3H2,1H3
InChIKeyOXCHCCNIRHYPFL-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.16
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-methoxypyridazine?
The IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine (CID 86715321) is 4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine.
What is the SMILES notation for 4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine?
The canonical SMILES for 4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine is COc1nnc(C(F)F)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine?
The InChIKey is OXCHCCNIRHYPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c1-13-7-4(3-8)2-5(6(9)10)11-12-7/h2,6H,3H2,1H3.
What are the key properties of 4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine?
4-(chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine has a molecular weight of 208.59 g/mol, XLogP of 2.16, 3 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-methoxypyridazine is sourced from PubChem (CID 86715321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).