4-hydroxy-2H-benzotriazole-5-carboxylic acid

C7H5N3O3 — CID 135423839

IUPAC4-hydroxy-2H-benzotriazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]nc2c1O
InChIInChI=1S/C7H5N3O3/c11-6-3(7(12)13)1-2-4-5(6)9-10-8-4/h1-2,11H,(H,12,13)(H,8,9,10)
InChIKeyGUZXAEROJNNLIT-UHFFFAOYSA-N
MW179.14 g/mol
LogP0.36
Rot. Bonds1

About 4-hydroxy-2H-benzotriazole-5-carboxylic acid

4-hydroxy-2H-benzotriazole-5-carboxylic acid (PubChem CID 135423839) has the molecular formula C7H5N3O3 and a molecular weight of 179.14 g/mol. Its IUPAC name is 4-hydroxy-2H-benzotriazole-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2H-benzotriazole-5-carboxylic acid
PubChem CID135423839
Molecular FormulaC7H5N3O3
Molecular Weight179.14 g/mol
Exact Mass179.03
IUPAC Name4-hydroxy-2H-benzotriazole-5-carboxylic acid
SMILESO=C(O)c1ccc2n[nH]nc2c1O
InChIInChI=1S/C7H5N3O3/c11-6-3(7(12)13)1-2-4-5(6)9-10-8-4/h1-2,11H,(H,12,13)(H,8,9,10)
InChIKeyGUZXAEROJNNLIT-UHFFFAOYSA-N
XLogP0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2H-benzotriazole-5-carboxylic acid?
The IUPAC name of 4-hydroxy-2H-benzotriazole-5-carboxylic acid (CID 135423839) is 4-hydroxy-2H-benzotriazole-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2H-benzotriazole-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-2H-benzotriazole-5-carboxylic acid is O=C(O)c1ccc2n[nH]nc2c1O.
What is the InChIKey of 4-hydroxy-2H-benzotriazole-5-carboxylic acid?
The InChIKey is GUZXAEROJNNLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c11-6-3(7(12)13)1-2-4-5(6)9-10-8-4/h1-2,11H,(H,12,13)(H,8,9,10).
What are the key properties of 4-hydroxy-2H-benzotriazole-5-carboxylic acid?
4-hydroxy-2H-benzotriazole-5-carboxylic acid has a molecular weight of 179.14 g/mol, XLogP of 0.36, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2H-benzotriazole-5-carboxylic acid is sourced from PubChem (CID 135423839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).