3-benzyl-1H-pyrrolo[2,3-b]pyridine

C14H12N2 — CID 21028223

IUPAC3-benzyl-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(Cc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16)
InChIKeyGZMFYYLEABBTHR-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.15
Rot. Bonds2

About 3-benzyl-1H-pyrrolo[2,3-b]pyridine

3-benzyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 21028223) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-benzyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-benzyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID21028223
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-benzyl-1H-pyrrolo[2,3-b]pyridine
SMILESc1ccc(Cc2c[nH]c3ncccc23)cc1
InChIInChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16)
InChIKeyGZMFYYLEABBTHR-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-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 3-benzyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-benzyl-1H-pyrrolo[2,3-b]pyridine (CID 21028223) is 3-benzyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-benzyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-benzyl-1H-pyrrolo[2,3-b]pyridine is c1ccc(Cc2c[nH]c3ncccc23)cc1.
What is the InChIKey of 3-benzyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GZMFYYLEABBTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-5-11(6-3-1)9-12-10-16-14-13(12)7-4-8-15-14/h1-8,10H,9H2,(H,15,16).
What are the key properties of 3-benzyl-1H-pyrrolo[2,3-b]pyridine?
3-benzyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 208.26 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 21028223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).