1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid

C8H7F2NO4 — CID 70935190

IUPAC1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(O)cn1CC(F)F
InChIInChI=1S/C8H7F2NO4/c9-7(10)3-11-2-6(13)5(12)1-4(11)8(14)15/h1-2,7,13H,3H2,(H,14,15)
InChIKeyBAQGMKFTQLDIAG-UHFFFAOYSA-N
MW219.14 g/mol
LogP0.52
Rot. Bonds3

About 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid

1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid (PubChem CID 70935190) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid
PubChem CID70935190
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c(O)cn1CC(F)F
InChIInChI=1S/C8H7F2NO4/c9-7(10)3-11-2-6(13)5(12)1-4(11)8(14)15/h1-2,7,13H,3H2,(H,14,15)
InChIKeyBAQGMKFTQLDIAG-UHFFFAOYSA-N
XLogP0.52
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid (CID 70935190) is 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid is O=C(O)c1cc(=O)c(O)cn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is BAQGMKFTQLDIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c9-7(10)3-11-2-6(13)5(12)1-4(11)8(14)15/h1-2,7,13H,3H2,(H,14,15).
What are the key properties of 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid?
1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 219.14 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-5-hydroxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 70935190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).