5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine

C8H7ClN2 — CID 90891844

IUPAC5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(Cl)nc2c1=NCC=2
InChIInChI=1S/C8H7ClN2/c1-5-4-7(9)11-6-2-3-10-8(5)6/h2,4H,3H2,1H3
InChIKeyAZZCWDWVMKCFJZ-UHFFFAOYSA-N
MW166.61 g/mol
LogP0.46
Rot. Bonds

About 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine

5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine (PubChem CID 90891844) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine
PubChem CID90891844
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine
SMILESCc1cc(Cl)nc2c1=NCC=2
InChIInChI=1S/C8H7ClN2/c1-5-4-7(9)11-6-2-3-10-8(5)6/h2,4H,3H2,1H3
InChIKeyAZZCWDWVMKCFJZ-UHFFFAOYSA-N
XLogP0.46
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-7-methyl-2H-pyrrolo[3,2-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-7-methyl-2H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine (CID 90891844) is 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine is Cc1cc(Cl)nc2c1=NCC=2.
What is the InChIKey of 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine?
The InChIKey is AZZCWDWVMKCFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-4-7(9)11-6-2-3-10-8(5)6/h2,4H,3H2,1H3.
What are the key properties of 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine?
5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine has a molecular weight of 166.61 g/mol, XLogP of 0.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methyl-2H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 90891844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).