2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

C9H10F2N2O3 — CID 62816373

IUPAC2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCC(F)F)c1
InChIInChI=1S/C9H10F2N2O3/c10-7(11)5-16-9(15)4-13-3-6(12)1-2-8(13)14/h1-3,7H,4-5,12H2
InChIKeyBSYXNCXXJUASQN-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.24
Rot. Bonds4

About 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate

2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (PubChem CID 62816373) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Name2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
PubChem CID62816373
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
SMILESNc1ccc(=O)n(CC(=O)OCC(F)F)c1
InChIInChI=1S/C9H10F2N2O3/c10-7(11)5-16-9(15)4-13-3-6(12)1-2-8(13)14/h1-3,7H,4-5,12H2
InChIKeyBSYXNCXXJUASQN-UHFFFAOYSA-N
XLogP0.24
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(3-acetamido-2-oxo-1-pyridinyl)acetate
CID 10444200
Ethyl 2-(3-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 10035571
Methyl (3-amino-2-oxopyridin-1(2H)-yl)acetate
CID 18690858
Methyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate
CID 20117853
Methyl 2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetate hydrochloride
CID 154581369
Ethyl 2-[2-oxo-3-(propylamino)-1-pyridinyl]acetate
CID 45271635
[2-(3-Amino-2-oxo-1-pyridinyl)acetyl] 2,2,2-trifluoroacetate
CID 87152487
Ethyl 6-methyl-2-oxo-1(2H)-pyridineacetate
CID 14196015
5-Amino-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
CID 43259844
5-Amino-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 43259845
5-Amino-1-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-2-one
CID 43260196
2,2,2-trifluoroethyl N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]carbamate
CID 45835474

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The IUPAC name of 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate (CID 62816373) is 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is Nc1ccc(=O)n(CC(=O)OCC(F)F)c1.
What is the InChIKey of 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
The InChIKey is BSYXNCXXJUASQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c10-7(11)5-16-9(15)4-13-3-6(12)1-2-8(13)14/h1-3,7H,4-5,12H2.
What are the key properties of 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate?
2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate has a molecular weight of 232.19 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62816373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).