2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine

C14H11ClN2 — CID 170986716

IUPAC2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]c(Cc3ccccc3)cc2c1
InChIInChI=1S/C14H11ClN2/c15-12-7-11-8-13(17-14(11)16-9-12)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,16,17)
InChIKeyLWFXWBHUWLAEKM-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.81
Rot. Bonds2

About 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine

2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 170986716) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine
PubChem CID170986716
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]c(Cc3ccccc3)cc2c1
InChIInChI=1S/C14H11ClN2/c15-12-7-11-8-13(17-14(11)16-9-12)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,16,17)
InChIKeyLWFXWBHUWLAEKM-UHFFFAOYSA-N
XLogP3.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine 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-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine (CID 170986716) is 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine is Clc1cnc2[nH]c(Cc3ccccc3)cc2c1.
What is the InChIKey of 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LWFXWBHUWLAEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-12-7-11-8-13(17-14(11)16-9-12)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,16,17).
What are the key properties of 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine?
2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 242.71 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-chloro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 170986716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).