5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide

C9H7FN4O2 — CID 6481038

IUPAC5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1cc(F)ccc1O
InChIInChI=1S/C9H7FN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKeyDAALFNKIVAEIAE-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.51
Rot. Bonds2

About 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide

5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (PubChem CID 6481038) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
PubChem CID6481038
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1cc(F)ccc1O
InChIInChI=1S/C9H7FN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKeyDAALFNKIVAEIAE-UHFFFAOYSA-N
XLogP0.51
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (CID 6481038) is 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is O=C(Nn1cncn1)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is DAALFNKIVAEIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16).
What are the key properties of 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 222.18 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 6481038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).