7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid

C13H9N3O3 — CID 135524854

IUPAC7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid
SMILESO=C(O)c1ccc(O)c2nn(-c3ccccc3)nc12
InChIInChI=1S/C13H9N3O3/c17-10-7-6-9(13(18)19)11-12(10)15-16(14-11)8-4-2-1-3-5-8/h1-7,17H,(H,18,19)
InChIKeyGYKDDPAJESCLBN-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.82
Rot. Bonds2

About 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid

7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid (PubChem CID 135524854) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid
PubChem CID135524854
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid
SMILESO=C(O)c1ccc(O)c2nn(-c3ccccc3)nc12
InChIInChI=1S/C13H9N3O3/c17-10-7-6-9(13(18)19)11-12(10)15-16(14-11)8-4-2-1-3-5-8/h1-7,17H,(H,18,19)
InChIKeyGYKDDPAJESCLBN-UHFFFAOYSA-N
XLogP1.82
TPSA88.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid?
The IUPAC name of 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid (CID 135524854) is 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid.
What is the SMILES notation for 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid?
The canonical SMILES for 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid is O=C(O)c1ccc(O)c2nn(-c3ccccc3)nc12.
What is the InChIKey of 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid?
The InChIKey is GYKDDPAJESCLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-10-7-6-9(13(18)19)11-12(10)15-16(14-11)8-4-2-1-3-5-8/h1-7,17H,(H,18,19).
What are the key properties of 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid?
7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-phenylbenzotriazole-4-carboxylic acid is sourced from PubChem (CID 135524854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).