2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide

C9H7FN4O2 — CID 104918443

IUPAC2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1c(O)cccc1F
InChIInChI=1S/C9H7FN4O2/c10-5-2-1-3-6(15)7(5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKeyYGEVBNYJGAKXGZ-UHFFFAOYSA-N
MW222.18 g/mol
LogP0.90
Rot. Bonds2

About 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide

2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 104918443) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID104918443
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESO=C(Nc1ncn[nH]1)c1c(O)cccc1F
InChIInChI=1S/C9H7FN4O2/c10-5-2-1-3-6(15)7(5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16)
InChIKeyYGEVBNYJGAKXGZ-UHFFFAOYSA-N
XLogP0.90
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 104918443) is 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide is O=C(Nc1ncn[nH]1)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is YGEVBNYJGAKXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-5-2-1-3-6(15)7(5)8(16)13-9-11-4-12-14-9/h1-4,15H,(H2,11,12,13,14,16).
What are the key properties of 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 222.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 104918443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).