5-(azidomethyl)-2-bromopyridine

C6H5BrN4 — CID 151178829

IUPAC5-(azidomethyl)-2-bromopyridine
SMILES[N-]=[N+]=NCc1ccc(Br)nc1
InChIInChI=1S/C6H5BrN4/c7-6-2-1-5(3-9-6)4-10-11-8/h1-3H,4H2
InChIKeyNDVWEXFGWILPIT-UHFFFAOYSA-N
MW213.04 g/mol
LogP2.65
Rot. Bonds2

About 5-(azidomethyl)-2-bromopyridine

5-(azidomethyl)-2-bromopyridine (PubChem CID 151178829) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 5-(azidomethyl)-2-bromopyridine.

Molecular Properties

Compound Name5-(azidomethyl)-2-bromopyridine
PubChem CID151178829
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name5-(azidomethyl)-2-bromopyridine
SMILES[N-]=[N+]=NCc1ccc(Br)nc1
InChIInChI=1S/C6H5BrN4/c7-6-2-1-5(3-9-6)4-10-11-8/h1-3H,4H2
InChIKeyNDVWEXFGWILPIT-UHFFFAOYSA-N
XLogP2.65
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', '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 5-(azidomethyl)-2-bromopyridine 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-Methylpyridine
CID 7970
4-Vinylpyridine
CID 7502
3-Pyridinemethanamine
CID 31018
2-Bromopyridine
CID 7973
3-Vinylpyridine
CID 14272
3-Bromopyridine
CID 12286
Dimethyl-pyridin-3-ylmethyl-amine
CID 7330459
2,5-Dibromopyridine
CID 69353
3-Pyridinecarboxaldehyde, oxime
CID 5324568
4-Amino-2-bromopyridine
CID 346455
5-Amino-2-bromo-3-methylpyridine
CID 12362446
N-Ethyl-N-methyl-3-pyridinemethanamine
CID 44302712

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-2-bromopyridine?
The IUPAC name of 5-(azidomethyl)-2-bromopyridine (CID 151178829) is 5-(azidomethyl)-2-bromopyridine.
What is the SMILES notation for 5-(azidomethyl)-2-bromopyridine?
The canonical SMILES for 5-(azidomethyl)-2-bromopyridine is [N-]=[N+]=NCc1ccc(Br)nc1.
What is the InChIKey of 5-(azidomethyl)-2-bromopyridine?
The InChIKey is NDVWEXFGWILPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c7-6-2-1-5(3-9-6)4-10-11-8/h1-3H,4H2.
What are the key properties of 5-(azidomethyl)-2-bromopyridine?
5-(azidomethyl)-2-bromopyridine has a molecular weight of 213.04 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-2-bromopyridine is sourced from PubChem (CID 151178829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).