1-(5-chloro-2-pyridinyl)benzotriazole

C11H7ClN4 — CID 12588335

IUPAC1-(5-chloro-2-pyridinyl)benzotriazole
SMILESClc1ccc(-n2nnc3ccccc32)nc1
InChIInChI=1S/C11H7ClN4/c12-8-5-6-11(13-7-8)16-10-4-2-1-3-9(10)14-15-16/h1-7H
InChIKeyYOKQKBBKJYHWMI-UHFFFAOYSA-N
MW230.66 g/mol
LogP2.47
Rot. Bonds1

About 1-(5-chloro-2-pyridinyl)benzotriazole

1-(5-chloro-2-pyridinyl)benzotriazole (PubChem CID 12588335) has the molecular formula C11H7ClN4 and a molecular weight of 230.66 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)benzotriazole.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)benzotriazole
PubChem CID12588335
Molecular FormulaC11H7ClN4
Molecular Weight230.66 g/mol
Exact Mass230.04
IUPAC Name1-(5-chloro-2-pyridinyl)benzotriazole
SMILESClc1ccc(-n2nnc3ccccc32)nc1
InChIInChI=1S/C11H7ClN4/c12-8-5-6-11(13-7-8)16-10-4-2-1-3-9(10)14-15-16/h1-7H
InChIKeyYOKQKBBKJYHWMI-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-2-pyridinyl)benzotriazole 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 1-(5-chloro-2-pyridinyl)benzotriazole?
The IUPAC name of 1-(5-chloro-2-pyridinyl)benzotriazole (CID 12588335) is 1-(5-chloro-2-pyridinyl)benzotriazole.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)benzotriazole?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)benzotriazole is Clc1ccc(-n2nnc3ccccc32)nc1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)benzotriazole?
The InChIKey is YOKQKBBKJYHWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4/c12-8-5-6-11(13-7-8)16-10-4-2-1-3-9(10)14-15-16/h1-7H.
What are the key properties of 1-(5-chloro-2-pyridinyl)benzotriazole?
1-(5-chloro-2-pyridinyl)benzotriazole has a molecular weight of 230.66 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)benzotriazole is sourced from PubChem (CID 12588335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).