5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid

C13H9N3O4 — CID 118542719

IUPAC5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(-n2nc3ccccc3n2)c(O)cc1O
InChIInChI=1S/C13H9N3O4/c17-11-6-12(18)10(5-7(11)13(19)20)16-14-8-3-1-2-4-9(8)15-16/h1-6,17-18H,(H,19,20)
InChIKeyXLDCXNNGURENHT-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.53
Rot. Bonds2

About 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid

5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid (PubChem CID 118542719) has the molecular formula C13H9N3O4 and a molecular weight of 271.23 g/mol. Its IUPAC name is 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid.

Molecular Properties

Compound Name5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid
PubChem CID118542719
Molecular FormulaC13H9N3O4
Molecular Weight271.23 g/mol
Exact Mass271.06
IUPAC Name5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid
SMILESO=C(O)c1cc(-n2nc3ccccc3n2)c(O)cc1O
InChIInChI=1S/C13H9N3O4/c17-11-6-12(18)10(5-7(11)13(19)20)16-14-8-3-1-2-4-9(8)15-16/h1-6,17-18H,(H,19,20)
InChIKeyXLDCXNNGURENHT-UHFFFAOYSA-N
XLogP1.53
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid?
The IUPAC name of 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid (CID 118542719) is 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid.
What is the SMILES notation for 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid?
The canonical SMILES for 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid is O=C(O)c1cc(-n2nc3ccccc3n2)c(O)cc1O.
What is the InChIKey of 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid?
The InChIKey is XLDCXNNGURENHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O4/c17-11-6-12(18)10(5-7(11)13(19)20)16-14-8-3-1-2-4-9(8)15-16/h1-6,17-18H,(H,19,20).
What are the key properties of 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid?
5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid has a molecular weight of 271.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzotriazol-2-yl)-2,4-dihydroxybenzoic acid is sourced from PubChem (CID 118542719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).