N-(2,2-difluoroethyl)pyridazine-3-carboxamide

C7H7F2N3O — CID 141460602

IUPACN-(2,2-difluoroethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(F)F)c1cccnn1
InChIInChI=1S/C7H7F2N3O/c8-6(9)4-10-7(13)5-2-1-3-11-12-5/h1-3,6H,4H2,(H,10,13)
InChIKeyVLMBWSTYIDPVJE-UHFFFAOYSA-N
MW187.15 g/mol
LogP0.47
Rot. Bonds3

About N-(2,2-difluoroethyl)pyridazine-3-carboxamide

N-(2,2-difluoroethyl)pyridazine-3-carboxamide (PubChem CID 141460602) has the molecular formula C7H7F2N3O and a molecular weight of 187.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)pyridazine-3-carboxamide
PubChem CID141460602
Molecular FormulaC7H7F2N3O
Molecular Weight187.15 g/mol
Exact Mass187.06
IUPAC NameN-(2,2-difluoroethyl)pyridazine-3-carboxamide
SMILESO=C(NCC(F)F)c1cccnn1
InChIInChI=1S/C7H7F2N3O/c8-6(9)4-10-7(13)5-2-1-3-11-12-5/h1-3,6H,4H2,(H,10,13)
InChIKeyVLMBWSTYIDPVJE-UHFFFAOYSA-N
XLogP0.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)pyridazine-3-carboxamide (CID 141460602) is N-(2,2-difluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)pyridazine-3-carboxamide is O=C(NCC(F)F)c1cccnn1.
What is the InChIKey of N-(2,2-difluoroethyl)pyridazine-3-carboxamide?
The InChIKey is VLMBWSTYIDPVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O/c8-6(9)4-10-7(13)5-2-1-3-11-12-5/h1-3,6H,4H2,(H,10,13).
What are the key properties of N-(2,2-difluoroethyl)pyridazine-3-carboxamide?
N-(2,2-difluoroethyl)pyridazine-3-carboxamide has a molecular weight of 187.15 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 141460602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).