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

C8H7N5 — CID 86671429

IUPAC3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
SMILES[N-]=[N+]=NCc1c[nH]c2ncccc12
InChIInChI=1S/C8H7N5/c9-13-12-5-6-4-11-8-7(6)2-1-3-10-8/h1-4H,5H2,(H,10,11)
InChIKeyBNCJWUFMTTWDJV-UHFFFAOYSA-N
MW173.18 g/mol
LogP2.37
Rot. Bonds2

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

3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 86671429) has the molecular formula C8H7N5 and a molecular weight of 173.18 g/mol. Its IUPAC name is 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID86671429
Molecular FormulaC8H7N5
Molecular Weight173.18 g/mol
Exact Mass173.07
IUPAC Name3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine
SMILES[N-]=[N+]=NCc1c[nH]c2ncccc12
InChIInChI=1S/C8H7N5/c9-13-12-5-6-4-11-8-7(6)2-1-3-10-8/h1-4H,5H2,(H,10,11)
InChIKeyBNCJWUFMTTWDJV-UHFFFAOYSA-N
XLogP2.37
TPSA77.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 52.37
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-(azidomethyl)-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-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-(3-azidoprop-1-enyl)-1H-pyrrolo[2,3-b]pyridine
CID 169461874
3-[(Z)-but-2-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 142204589
3-(azidomethyl)-1H-indole;1H-indol-3-ylmethanol
CID 159555416
1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
CID 134604131
ethane;2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetonitrile
CID 91517846
3-(cyclopenta-1,4-dien-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 91928260
1H-pyrrolo[2,3-b]pyridine-3-carbonyl azide
CID 146591530
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788
3-(5-bromopentyl)-1H-pyrrolo[2,3-b]pyridine
CID 59362853
N-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)propanamide
CID 66414096

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine (CID 86671429) is 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine is [N-]=[N+]=NCc1c[nH]c2ncccc12.
What is the InChIKey of 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BNCJWUFMTTWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5/c9-13-12-5-6-4-11-8-7(6)2-1-3-10-8/h1-4H,5H2,(H,10,11).
What are the key properties of 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine?
3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 173.18 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 86671429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).