4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide

C7H5Cl2F2N3O — CID 177044615

IUPAC4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(F)F)c1nnc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2F2N3O/c8-3-1-4(9)13-14-6(3)7(15)12-2-5(10)11/h1,5H,2H2,(H,12,15)
InChIKeyOCSZCMYXWRSBDT-UHFFFAOYSA-N
MW256.04 g/mol
LogP1.78
Rot. Bonds3

About 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide

4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide (PubChem CID 177044615) has the molecular formula C7H5Cl2F2N3O and a molecular weight of 256.04 g/mol. Its IUPAC name is 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide
PubChem CID177044615
Molecular FormulaC7H5Cl2F2N3O
Molecular Weight256.04 g/mol
Exact Mass254.98
IUPAC Name4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(F)F)c1nnc(Cl)cc1Cl
InChIInChI=1S/C7H5Cl2F2N3O/c8-3-1-4(9)13-14-6(3)7(15)12-2-5(10)11/h1,5H,2H2,(H,12,15)
InChIKeyOCSZCMYXWRSBDT-UHFFFAOYSA-N
XLogP1.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.04
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide (CID 177044615) is 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide is O=C(NCC(F)F)c1nnc(Cl)cc1Cl.
What is the InChIKey of 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide?
The InChIKey is OCSZCMYXWRSBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2N3O/c8-3-1-4(9)13-14-6(3)7(15)12-2-5(10)11/h1,5H,2H2,(H,12,15).
What are the key properties of 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide?
4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide has a molecular weight of 256.04 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2,2-difluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 177044615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).