3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine

C10H9N5 — CID 169461874

IUPAC3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine
SMILES[N-]=[N+]=NCC=Cc1c[nH]c2ncccc12
InChIInChI=1S/C10H9N5/c11-15-14-6-1-3-8-7-13-10-9(8)4-2-5-12-10/h1-5,7H,6H2,(H,12,13)
InChIKeyJSBJTODNSKZVMZ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.89
Rot. Bonds3

About 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine

3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 169461874) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID169461874
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine
SMILES[N-]=[N+]=NCC=Cc1c[nH]c2ncccc12
InChIInChI=1S/C10H9N5/c11-15-14-6-1-3-8-7-13-10-9(8)4-2-5-12-10/h1-5,7H,6H2,(H,12,13)
InChIKeyJSBJTODNSKZVMZ-UHFFFAOYSA-N
XLogP2.89
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 3-(3-azidoprop-1-enyl)-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

Related Compounds

3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 86671429
3-(3-azidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169461810
3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 53392945
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
4-(3-azidoprop-1-enyl)-1H-indazole
CID 169461875
4-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethenyl]benzonitrile
CID 76663347
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169462599
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
CID 169461396

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine (CID 169461874) is 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine is [N-]=[N+]=NCC=Cc1c[nH]c2ncccc12.
What is the InChIKey of 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JSBJTODNSKZVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-15-14-6-1-3-8-7-13-10-9(8)4-2-5-12-10/h1-5,7H,6H2,(H,12,13).
What are the key properties of 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine?
3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 199.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 169461874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).