6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine

C8H7ClN2 — CID 21061734

IUPAC6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2ccc(Cl)nc2[nH]1
InChIInChI=1S/C8H7ClN2/c1-5-4-6-2-3-7(9)11-8(6)10-5/h2-4H,1H3,(H,10,11)
InChIKeyHCVQDCUBIIQDCA-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.52
Rot. Bonds

About 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine

6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 21061734) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID21061734
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2ccc(Cl)nc2[nH]1
InChIInChI=1S/C8H7ClN2/c1-5-4-6-2-3-7(9)11-8(6)10-5/h2-4H,1H3,(H,10,11)
InChIKeyHCVQDCUBIIQDCA-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-2-methyl-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 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine (CID 21061734) is 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine is Cc1cc2ccc(Cl)nc2[nH]1.
What is the InChIKey of 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HCVQDCUBIIQDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-5-4-6-2-3-7(9)11-8(6)10-5/h2-4H,1H3,(H,10,11).
What are the key properties of 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine?
6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 166.61 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 21061734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).