2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride

C13H8ClN3O2 — CID 118468868

IUPAC2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride
SMILESO=C(Cl)c1ccc(O)cc1-n1nc2ccccc2n1
InChIInChI=1S/C13H8ClN3O2/c14-13(19)9-6-5-8(18)7-12(9)17-15-10-3-1-2-4-11(10)16-17/h1-7,18H
InChIKeyDLDWBHNPQGWJIR-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.51
Rot. Bonds2

About 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride

2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride (PubChem CID 118468868) has the molecular formula C13H8ClN3O2 and a molecular weight of 273.68 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride
PubChem CID118468868
Molecular FormulaC13H8ClN3O2
Molecular Weight273.68 g/mol
Exact Mass273.03
IUPAC Name2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride
SMILESO=C(Cl)c1ccc(O)cc1-n1nc2ccccc2n1
InChIInChI=1S/C13H8ClN3O2/c14-13(19)9-6-5-8(18)7-12(9)17-15-10-3-1-2-4-11(10)16-17/h1-7,18H
InChIKeyDLDWBHNPQGWJIR-UHFFFAOYSA-N
XLogP2.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride?
The IUPAC name of 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride (CID 118468868) is 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride.
What is the SMILES notation for 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride?
The canonical SMILES for 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride is O=C(Cl)c1ccc(O)cc1-n1nc2ccccc2n1.
What is the InChIKey of 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride?
The InChIKey is DLDWBHNPQGWJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2/c14-13(19)9-6-5-8(18)7-12(9)17-15-10-3-1-2-4-11(10)16-17/h1-7,18H.
What are the key properties of 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride?
2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride has a molecular weight of 273.68 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-4-hydroxybenzoyl chloride is sourced from PubChem (CID 118468868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).