3-benzyl-5-chloroimidazo[1,5-a]pyridine

C14H11ClN2 — CID 117141926

IUPAC3-benzyl-5-chloroimidazo[1,5-a]pyridine
SMILESClc1cccc2cnc(Cc3ccccc3)n12
InChIInChI=1S/C14H11ClN2/c15-13-8-4-7-12-10-16-14(17(12)13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyFULXHNULXPHFHL-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.58
Rot. Bonds2

About 3-benzyl-5-chloroimidazo[1,5-a]pyridine

3-benzyl-5-chloroimidazo[1,5-a]pyridine (PubChem CID 117141926) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-benzyl-5-chloroimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-benzyl-5-chloroimidazo[1,5-a]pyridine
PubChem CID117141926
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name3-benzyl-5-chloroimidazo[1,5-a]pyridine
SMILESClc1cccc2cnc(Cc3ccccc3)n12
InChIInChI=1S/C14H11ClN2/c15-13-8-4-7-12-10-16-14(17(12)13)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyFULXHNULXPHFHL-UHFFFAOYSA-N
XLogP3.58
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-chloroimidazo[1,5-a]pyridine?
The IUPAC name of 3-benzyl-5-chloroimidazo[1,5-a]pyridine (CID 117141926) is 3-benzyl-5-chloroimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-benzyl-5-chloroimidazo[1,5-a]pyridine?
The canonical SMILES for 3-benzyl-5-chloroimidazo[1,5-a]pyridine is Clc1cccc2cnc(Cc3ccccc3)n12.
What is the InChIKey of 3-benzyl-5-chloroimidazo[1,5-a]pyridine?
The InChIKey is FULXHNULXPHFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-13-8-4-7-12-10-16-14(17(12)13)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 3-benzyl-5-chloroimidazo[1,5-a]pyridine?
3-benzyl-5-chloroimidazo[1,5-a]pyridine has a molecular weight of 242.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-chloroimidazo[1,5-a]pyridine is sourced from PubChem (CID 117141926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).