3-(azidomethyl)-5-bromopyridine-2-carbonitrile

C7H4BrN5 — CID 118225259

IUPAC3-(azidomethyl)-5-bromopyridine-2-carbonitrile
SMILESN#Cc1ncc(Br)cc1CN=[N+]=[N-]
InChIInChI=1S/C7H4BrN5/c8-6-1-5(3-12-13-10)7(2-9)11-4-6/h1,4H,3H2
InChIKeyJEVLXIIOZVCOOA-UHFFFAOYSA-N
MW238.05 g/mol
LogP2.53
Rot. Bonds2

About 3-(azidomethyl)-5-bromopyridine-2-carbonitrile

3-(azidomethyl)-5-bromopyridine-2-carbonitrile (PubChem CID 118225259) has the molecular formula C7H4BrN5 and a molecular weight of 238.05 g/mol. Its IUPAC name is 3-(azidomethyl)-5-bromopyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(azidomethyl)-5-bromopyridine-2-carbonitrile
PubChem CID118225259
Molecular FormulaC7H4BrN5
Molecular Weight238.05 g/mol
Exact Mass236.97
IUPAC Name3-(azidomethyl)-5-bromopyridine-2-carbonitrile
SMILESN#Cc1ncc(Br)cc1CN=[N+]=[N-]
InChIInChI=1S/C7H4BrN5/c8-6-1-5(3-12-13-10)7(2-9)11-4-6/h1,4H,3H2
InChIKeyJEVLXIIOZVCOOA-UHFFFAOYSA-N
XLogP2.53
TPSA85.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.05
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-5-bromopyridine-2-carbonitrile 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)-6-methylpyridine-2-carbonitrile
CID 22929806
2-(azidomethyl)-5-bromopyridine
CID 90266378
5-bromo-3-[(R)-ethylsulfinyl]pyridine-2-carbonitrile
CID 172625480
5-bromo-3-nitropyridine-2-carbonitrile
CID 2769698
5-(azidomethyl)-2-bromopyridine
CID 151178829
2-(5-bromo-2-methyl-3-pyridinyl)acetonitrile
CID 130153910
5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile
CID 114202973
7-(azidomethyl)-5-bromo-2,3-dihydro-1-benzofuran
CID 22930437
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
5-bromo-3-morpholin-4-ylpyridine-2-carbonitrile
CID 90456532
1-(azidomethyl)-2-bromo-4-nitrobenzene
CID 60791558
5-bromo-3-piperazin-1-ylpyridine-2-carbonitrile
CID 167443591

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-5-bromopyridine-2-carbonitrile?
The IUPAC name of 3-(azidomethyl)-5-bromopyridine-2-carbonitrile (CID 118225259) is 3-(azidomethyl)-5-bromopyridine-2-carbonitrile.
What is the SMILES notation for 3-(azidomethyl)-5-bromopyridine-2-carbonitrile?
The canonical SMILES for 3-(azidomethyl)-5-bromopyridine-2-carbonitrile is N#Cc1ncc(Br)cc1CN=[N+]=[N-].
What is the InChIKey of 3-(azidomethyl)-5-bromopyridine-2-carbonitrile?
The InChIKey is JEVLXIIOZVCOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN5/c8-6-1-5(3-12-13-10)7(2-9)11-4-6/h1,4H,3H2.
What are the key properties of 3-(azidomethyl)-5-bromopyridine-2-carbonitrile?
3-(azidomethyl)-5-bromopyridine-2-carbonitrile has a molecular weight of 238.05 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-5-bromopyridine-2-carbonitrile is sourced from PubChem (CID 118225259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).