1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid

C8H5FN4O3 — CID 168934909

IUPAC1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1ncn(-c2cc(F)c[nH]c2=O)n1
InChIInChI=1S/C8H5FN4O3/c9-4-1-5(7(14)10-2-4)13-3-11-6(12-13)8(15)16/h1-3H,(H,10,14)(H,15,16)
InChIKeyWFHRMDHFEYPSLS-UHFFFAOYSA-N
MW224.15 g/mol
LogP-0.21
Rot. Bonds2

About 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid

1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid (PubChem CID 168934909) has the molecular formula C8H5FN4O3 and a molecular weight of 224.15 g/mol. Its IUPAC name is 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid
PubChem CID168934909
Molecular FormulaC8H5FN4O3
Molecular Weight224.15 g/mol
Exact Mass224.03
IUPAC Name1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid
SMILESO=C(O)c1ncn(-c2cc(F)c[nH]c2=O)n1
InChIInChI=1S/C8H5FN4O3/c9-4-1-5(7(14)10-2-4)13-3-11-6(12-13)8(15)16/h1-3H,(H,10,14)(H,15,16)
InChIKeyWFHRMDHFEYPSLS-UHFFFAOYSA-N
XLogP-0.21
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid (CID 168934909) is 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid is O=C(O)c1ncn(-c2cc(F)c[nH]c2=O)n1.
What is the InChIKey of 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid?
The InChIKey is WFHRMDHFEYPSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN4O3/c9-4-1-5(7(14)10-2-4)13-3-11-6(12-13)8(15)16/h1-3H,(H,10,14)(H,15,16).
What are the key properties of 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid?
1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid has a molecular weight of 224.15 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-oxo-1H-pyridin-3-yl)-1,2,4-triazole-3-carboxylic acid is sourced from PubChem (CID 168934909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).