2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide

C7H7F2N3O2 — CID 155796874

IUPAC2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide
SMILESCn1nc(C(F)(F)C(N)=O)ccc1=O
InChIInChI=1S/C7H7F2N3O2/c1-12-5(13)3-2-4(11-12)7(8,9)6(10)14/h2-3H,1H3,(H2,10,14)
InChIKeyGFBNBJHFFHJEJG-UHFFFAOYSA-N
MW203.15 g/mol
LogP-0.64
Rot. Bonds2

About 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide

2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide (PubChem CID 155796874) has the molecular formula C7H7F2N3O2 and a molecular weight of 203.15 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide
PubChem CID155796874
Molecular FormulaC7H7F2N3O2
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Name2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide
SMILESCn1nc(C(F)(F)C(N)=O)ccc1=O
InChIInChI=1S/C7H7F2N3O2/c1-12-5(13)3-2-4(11-12)7(8,9)6(10)14/h2-3H,1H3,(H2,10,14)
InChIKeyGFBNBJHFFHJEJG-UHFFFAOYSA-N
XLogP-0.64
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide?
The IUPAC name of 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide (CID 155796874) is 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide?
The canonical SMILES for 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide is Cn1nc(C(F)(F)C(N)=O)ccc1=O.
What is the InChIKey of 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide?
The InChIKey is GFBNBJHFFHJEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N3O2/c1-12-5(13)3-2-4(11-12)7(8,9)6(10)14/h2-3H,1H3,(H2,10,14).
What are the key properties of 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide?
2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide has a molecular weight of 203.15 g/mol, XLogP of -0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetamide is sourced from PubChem (CID 155796874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).