2-hydroxy-6-(triazol-2-yl)benzoic acid

C9H7N3O3 — CID 84672925

IUPAC2-hydroxy-6-(triazol-2-yl)benzoic acid
SMILESO=C(O)c1c(O)cccc1-n1nccn1
InChIInChI=1S/C9H7N3O3/c13-7-3-1-2-6(8(7)9(14)15)12-10-4-5-11-12/h1-5,13H,(H,14,15)
InChIKeySYPSGHRITCGXQQ-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.67
Rot. Bonds2

About 2-hydroxy-6-(triazol-2-yl)benzoic acid

2-hydroxy-6-(triazol-2-yl)benzoic acid (PubChem CID 84672925) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-hydroxy-6-(triazol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-(triazol-2-yl)benzoic acid
PubChem CID84672925
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name2-hydroxy-6-(triazol-2-yl)benzoic acid
SMILESO=C(O)c1c(O)cccc1-n1nccn1
InChIInChI=1S/C9H7N3O3/c13-7-3-1-2-6(8(7)9(14)15)12-10-4-5-11-12/h1-5,13H,(H,14,15)
InChIKeySYPSGHRITCGXQQ-UHFFFAOYSA-N
XLogP0.67
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-(triazol-2-yl)benzoic acid?
The IUPAC name of 2-hydroxy-6-(triazol-2-yl)benzoic acid (CID 84672925) is 2-hydroxy-6-(triazol-2-yl)benzoic acid.
What is the SMILES notation for 2-hydroxy-6-(triazol-2-yl)benzoic acid?
The canonical SMILES for 2-hydroxy-6-(triazol-2-yl)benzoic acid is O=C(O)c1c(O)cccc1-n1nccn1.
What is the InChIKey of 2-hydroxy-6-(triazol-2-yl)benzoic acid?
The InChIKey is SYPSGHRITCGXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-7-3-1-2-6(8(7)9(14)15)12-10-4-5-11-12/h1-5,13H,(H,14,15).
What are the key properties of 2-hydroxy-6-(triazol-2-yl)benzoic acid?
2-hydroxy-6-(triazol-2-yl)benzoic acid has a molecular weight of 205.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-(triazol-2-yl)benzoic acid is sourced from PubChem (CID 84672925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).