difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C8H8F2N2O3 — CID 62814459

IUPACdifluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OC(F)F)c1
InChIInChI=1S/C8H8F2N2O3/c9-8(10)15-7(14)4-12-3-5(11)1-2-6(12)13/h1-3,8H,4,11H2
InChIKeyDEUXREFSAXBZHV-UHFFFAOYSA-N
MW218.16 g/mol
LogP0.20
Rot. Bonds3

About difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62814459) has the molecular formula C8H8F2N2O3 and a molecular weight of 218.16 g/mol. Its IUPAC name is difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namedifluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62814459
Molecular FormulaC8H8F2N2O3
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Namedifluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OC(F)F)c1
InChIInChI=1S/C8H8F2N2O3/c9-8(10)15-7(14)4-12-3-5(11)1-2-6(12)13/h1-3,8H,4,11H2
InChIKeyDEUXREFSAXBZHV-UHFFFAOYSA-N
XLogP0.20
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62814459) is difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Nc1ccc(=O)n(CC(=O)OC(F)F)c1.
What is the InChIKey of difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is DEUXREFSAXBZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O3/c9-8(10)15-7(14)4-12-3-5(11)1-2-6(12)13/h1-3,8H,4,11H2.
What are the key properties of difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 218.16 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62814459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).