4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine

C8H9ClF2N2O — CID 86715326

IUPAC4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine
SMILESCOc1nnc(C(C)(F)F)cc1CCl
InChIInChI=1S/C8H9ClF2N2O/c1-8(10,11)6-3-5(4-9)7(14-2)13-12-6/h3H,4H2,1-2H3
InChIKeyPGPRBXHYAAZKCI-UHFFFAOYSA-N
MW222.62 g/mol
LogP2.34
Rot. Bonds3

About 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine

4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine (PubChem CID 86715326) has the molecular formula C8H9ClF2N2O and a molecular weight of 222.62 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine.

Molecular Properties

Compound Name4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine
PubChem CID86715326
Molecular FormulaC8H9ClF2N2O
Molecular Weight222.62 g/mol
Exact Mass222.04
IUPAC Name4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine
SMILESCOc1nnc(C(C)(F)F)cc1CCl
InChIInChI=1S/C8H9ClF2N2O/c1-8(10,11)6-3-5(4-9)7(14-2)13-12-6/h3H,4H2,1-2H3
InChIKeyPGPRBXHYAAZKCI-UHFFFAOYSA-N
XLogP2.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.62
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 23239696
CID 23239696
CID 130784986
CID 130784986
CID 61257870
CID 61257870
CID 16743327
CID 16743327
CID 66486927
CID 66486927
CID 86715268
CID 86715268
CID 86715269
CID 86715269
CID 86715270
CID 86715270
CID 86715319
CID 86715319
CID 86715320
CID 86715320
CID 86715321
CID 86715321
CID 86715322
CID 86715322

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine?
The IUPAC name of 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine (CID 86715326) is 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine.
What is the SMILES notation for 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine?
The canonical SMILES for 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine is COc1nnc(C(C)(F)F)cc1CCl.
What is the InChIKey of 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine?
The InChIKey is PGPRBXHYAAZKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O/c1-8(10,11)6-3-5(4-9)7(14-2)13-12-6/h3H,4H2,1-2H3.
What are the key properties of 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine?
4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine has a molecular weight of 222.62 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine is sourced from PubChem (CID 86715326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).