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

C7H5ClN2 — CID 124527053

IUPAC5-chloro-3H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2c(c1)CC=N2
InChIInChI=1S/C7H5ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h2-4H,1H2
InChIKeyYTRYRYRPJQDZOJ-UHFFFAOYSA-N
MW152.58 g/mol
LogP1.99
Rot. Bonds

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

5-chloro-3H-pyrrolo[2,3-b]pyridine (PubChem CID 124527053) has the molecular formula C7H5ClN2 and a molecular weight of 152.58 g/mol. Its IUPAC name is 5-chloro-3H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3H-pyrrolo[2,3-b]pyridine
PubChem CID124527053
Molecular FormulaC7H5ClN2
Molecular Weight152.58 g/mol
Exact Mass152.01
IUPAC Name5-chloro-3H-pyrrolo[2,3-b]pyridine
SMILESClc1cnc2c(c1)CC=N2
InChIInChI=1S/C7H5ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h2-4H,1H2
InChIKeyYTRYRYRPJQDZOJ-UHFFFAOYSA-N
XLogP1.99
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3H-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-3H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3H-pyrrolo[2,3-b]pyridine (CID 124527053) is 5-chloro-3H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3H-pyrrolo[2,3-b]pyridine is Clc1cnc2c(c1)CC=N2.
What is the InChIKey of 5-chloro-3H-pyrrolo[2,3-b]pyridine?
The InChIKey is YTRYRYRPJQDZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2/c8-6-3-5-1-2-9-7(5)10-4-6/h2-4H,1H2.
What are the key properties of 5-chloro-3H-pyrrolo[2,3-b]pyridine?
5-chloro-3H-pyrrolo[2,3-b]pyridine has a molecular weight of 152.58 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 124527053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).