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

C13H9ClN2 — CID 45483928

IUPAC5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C13H9ClN2/c14-10-6-11-12(8-16-13(11)15-7-10)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyBEGKFGVLOHUTSZ-UHFFFAOYSA-N
MW228.68 g/mol
LogP3.88
Rot. Bonds1

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

5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 45483928) has the molecular formula C13H9ClN2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID45483928
Molecular FormulaC13H9ClN2
Molecular Weight228.68 g/mol
Exact Mass228.05
IUPAC Name5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C13H9ClN2/c14-10-6-11-12(8-16-13(11)15-7-10)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKeyBEGKFGVLOHUTSZ-UHFFFAOYSA-N
XLogP3.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-3-phenyl-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 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 45483928) is 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine is Clc1cnc2[nH]cc(-c3ccccc3)c2c1.
What is the InChIKey of 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BEGKFGVLOHUTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2/c14-10-6-11-12(8-16-13(11)15-7-10)9-4-2-1-3-5-9/h1-8H,(H,15,16).
What are the key properties of 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 228.68 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 45483928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).