4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine

C8H6BrClN4 — CID 169462754

IUPAC4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
SMILES[N-]=[N+]=NCC=Cc1cc(Cl)ncc1Br
InChIInChI=1S/C8H6BrClN4/c9-7-5-12-8(10)4-6(7)2-1-3-13-14-11/h1-2,4-5H,3H2
InChIKeyLZZHYKUBZKXXPA-UHFFFAOYSA-N
MW273.52 g/mol
LogP3.82
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine

4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine (PubChem CID 169462754) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
PubChem CID169462754
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
SMILES[N-]=[N+]=NCC=Cc1cc(Cl)ncc1Br
InChIInChI=1S/C8H6BrClN4/c9-7-5-12-8(10)4-6(7)2-1-3-13-14-11/h1-2,4-5H,3H2
InChIKeyLZZHYKUBZKXXPA-UHFFFAOYSA-N
XLogP3.82
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 53.82
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'}

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Related Compounds

5-(3-azidoprop-1-enyl)-2-chloropyridine-4-carboxylic acid
CID 169462114
5-bromo-4-(4-bromobut-1-enyl)-2-chloropyridine
CID 170498502
5-(3-azidoprop-1-enyl)-2-chloro-4-methylpyrimidine
CID 169461396
N-[3-(5-bromo-2-chloro-4-pyridinyl)prop-2-enyl]acetamide
CID 169466530
3-(3-azidoprop-1-enyl)-6-chloropyrazin-2-amine
CID 169461550
3-(3-azidoprop-1-enyl)-5-chloropyrazin-2-amine
CID 169461551
5-(3-azidoprop-1-enyl)-4-chloro-2-methylsulfanylpyrimidine
CID 169461709
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
4-(3-azidoprop-1-enyl)-2,6-dibromophenol
CID 169462874
2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
CID 169462758
4-(3-azidoprop-1-enyl)-1H-pyrazol-5-amine
CID 169461227

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine?
The IUPAC name of 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine (CID 169462754) is 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine is [N-]=[N+]=NCC=Cc1cc(Cl)ncc1Br.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine?
The InChIKey is LZZHYKUBZKXXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c9-7-5-12-8(10)4-6(7)2-1-3-13-14-11/h1-2,4-5H,3H2.
What are the key properties of 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine?
4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine has a molecular weight of 273.52 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine is sourced from PubChem (CID 169462754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).