6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine

C9H9ClN2 — CID 135062936

IUPAC6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(Cl)nc2c1ccn2C
InChIInChI=1S/C9H9ClN2/c1-6-5-8(10)11-9-7(6)3-4-12(9)2/h3-5H,1-2H3
InChIKeyCXNOMKXSBNEMRW-UHFFFAOYSA-N
MW180.64 g/mol
LogP2.54
Rot. Bonds

About 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine

6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine (PubChem CID 135062936) has the molecular formula C9H9ClN2 and a molecular weight of 180.64 g/mol. Its IUPAC name is 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine
PubChem CID135062936
Molecular FormulaC9H9ClN2
Molecular Weight180.64 g/mol
Exact Mass180.05
IUPAC Name6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine
SMILESCc1cc(Cl)nc2c1ccn2C
InChIInChI=1S/C9H9ClN2/c1-6-5-8(10)11-9-7(6)3-4-12(9)2/h3-5H,1-2H3
InChIKeyCXNOMKXSBNEMRW-UHFFFAOYSA-N
XLogP2.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.64
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-1,4-dimethylpyrrolo[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 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine (CID 135062936) is 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine is Cc1cc(Cl)nc2c1ccn2C.
What is the InChIKey of 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine?
The InChIKey is CXNOMKXSBNEMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2/c1-6-5-8(10)11-9-7(6)3-4-12(9)2/h3-5H,1-2H3.
What are the key properties of 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine?
6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine has a molecular weight of 180.64 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,4-dimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135062936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).