2-(benzotriazol-2-yl)-4-hydroxybenzoic acid

C13H9N3O3 — CID 141222312

IUPAC2-(benzotriazol-2-yl)-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-n1nc2ccccc2n1
InChIInChI=1S/C13H9N3O3/c17-8-5-6-9(13(18)19)12(7-8)16-14-10-3-1-2-4-11(10)15-16/h1-7,17H,(H,18,19)
InChIKeyTYGKLVRVORWGEJ-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.82
Rot. Bonds2

About 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid

2-(benzotriazol-2-yl)-4-hydroxybenzoic acid (PubChem CID 141222312) has the molecular formula C13H9N3O3 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-hydroxybenzoic acid
PubChem CID141222312
Molecular FormulaC13H9N3O3
Molecular Weight255.23 g/mol
Exact Mass255.06
IUPAC Name2-(benzotriazol-2-yl)-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1-n1nc2ccccc2n1
InChIInChI=1S/C13H9N3O3/c17-8-5-6-9(13(18)19)12(7-8)16-14-10-3-1-2-4-11(10)15-16/h1-7,17H,(H,18,19)
InChIKeyTYGKLVRVORWGEJ-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 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid?
The IUPAC name of 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid (CID 141222312) is 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid?
The InChIKey is TYGKLVRVORWGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O3/c17-8-5-6-9(13(18)19)12(7-8)16-14-10-3-1-2-4-11(10)15-16/h1-7,17H,(H,18,19).
What are the key properties of 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid?
2-(benzotriazol-2-yl)-4-hydroxybenzoic 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 2-(benzotriazol-2-yl)-4-hydroxybenzoic acid is sourced from PubChem (CID 141222312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).