2H-benzotriazole;4-hydroxybenzoic acid

C13H11N3O3 — CID 139086172

IUPAC2H-benzotriazole;4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C7H6O3.C6H5N3/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5(3-1)7-9-8-6/h1-4,8H,(H,9,10);1-4H,(H,7,8,9)
InChIKeyGLEOCXTZLQMMNP-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.05
Rot. Bonds1

About 2H-benzotriazole;4-hydroxybenzoic acid

2H-benzotriazole;4-hydroxybenzoic acid (PubChem CID 139086172) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2H-benzotriazole;4-hydroxybenzoic acid.

Molecular Properties

Compound Name2H-benzotriazole;4-hydroxybenzoic acid
PubChem CID139086172
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2H-benzotriazole;4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1.c1ccc2n[nH]nc2c1
InChIInChI=1S/C7H6O3.C6H5N3/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5(3-1)7-9-8-6/h1-4,8H,(H,9,10);1-4H,(H,7,8,9)
InChIKeyGLEOCXTZLQMMNP-UHFFFAOYSA-N
XLogP2.05
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazole;4-hydroxybenzoic acid?
The IUPAC name of 2H-benzotriazole;4-hydroxybenzoic acid (CID 139086172) is 2H-benzotriazole;4-hydroxybenzoic acid.
What is the SMILES notation for 2H-benzotriazole;4-hydroxybenzoic acid?
The canonical SMILES for 2H-benzotriazole;4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1.c1ccc2n[nH]nc2c1.
What is the InChIKey of 2H-benzotriazole;4-hydroxybenzoic acid?
The InChIKey is GLEOCXTZLQMMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C6H5N3/c8-6-3-1-5(2-4-6)7(9)10;1-2-4-6-5(3-1)7-9-8-6/h1-4,8H,(H,9,10);1-4H,(H,7,8,9).
What are the key properties of 2H-benzotriazole;4-hydroxybenzoic acid?
2H-benzotriazole;4-hydroxybenzoic acid has a molecular weight of 257.25 g/mol, XLogP of 2.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazole;4-hydroxybenzoic acid is sourced from PubChem (CID 139086172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).