2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide

C8H9F2N3O2 — CID 170266150

IUPAC2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
SMILESCC(F)(F)C(=O)NCc1ccc(=O)[nH]n1
InChIInChI=1S/C8H9F2N3O2/c1-8(9,10)7(15)11-4-5-2-3-6(14)13-12-5/h2-3H,4H2,1H3,(H,11,15)(H,13,14)
InChIKeyXVPSXSWGPKMXQL-UHFFFAOYSA-N
MW217.17 g/mol
LogP0.04
Rot. Bonds3

About 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide

2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide (PubChem CID 170266150) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.17 g/mol. Its IUPAC name is 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
PubChem CID170266150
Molecular FormulaC8H9F2N3O2
Molecular Weight217.17 g/mol
Exact Mass217.07
IUPAC Name2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
SMILESCC(F)(F)C(=O)NCc1ccc(=O)[nH]n1
InChIInChI=1S/C8H9F2N3O2/c1-8(9,10)7(15)11-4-5-2-3-6(14)13-12-5/h2-3H,4H2,1H3,(H,11,15)(H,13,14)
InChIKeyXVPSXSWGPKMXQL-UHFFFAOYSA-N
XLogP0.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide?
The IUPAC name of 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide (CID 170266150) is 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide.
What is the SMILES notation for 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide?
The canonical SMILES for 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide is CC(F)(F)C(=O)NCc1ccc(=O)[nH]n1.
What is the InChIKey of 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide?
The InChIKey is XVPSXSWGPKMXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-8(9,10)7(15)11-4-5-2-3-6(14)13-12-5/h2-3H,4H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide?
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide has a molecular weight of 217.17 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide is sourced from PubChem (CID 170266150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).