4-(3-azidoprop-1-enyl)-2,6-dibromophenol

C9H7Br2N3O — CID 169462874

IUPAC4-(3-azidoprop-1-enyl)-2,6-dibromophenol
SMILES[N-]=[N+]=NCC=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C9H7Br2N3O/c10-7-4-6(2-1-3-13-14-12)5-8(11)9(7)15/h1-2,4-5,15H,3H2
InChIKeyJCAGZBNWZMZHJO-UHFFFAOYSA-N
MW332.98 g/mol
LogP4.24
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)-2,6-dibromophenol

4-(3-azidoprop-1-enyl)-2,6-dibromophenol (PubChem CID 169462874) has the molecular formula C9H7Br2N3O and a molecular weight of 332.98 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-2,6-dibromophenol.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-2,6-dibromophenol
PubChem CID169462874
Molecular FormulaC9H7Br2N3O
Molecular Weight332.98 g/mol
Exact Mass330.90
IUPAC Name4-(3-azidoprop-1-enyl)-2,6-dibromophenol
SMILES[N-]=[N+]=NCC=Cc1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C9H7Br2N3O/c10-7-4-6(2-1-3-13-14-12)5-8(11)9(7)15/h1-2,4-5,15H,3H2
InChIKeyJCAGZBNWZMZHJO-UHFFFAOYSA-N
XLogP4.24
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 54.24
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'}

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Related Compounds

5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde
CID 169461964
5-(3-azidoprop-1-enyl)pyridin-3-ol
CID 169461299
4-(4-azidobut-1-enyl)-2-bromophenol
CID 170486320
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
2-(3-azidoprop-1-enyl)-4-bromo-1H-pyrrole
CID 169462957
3-(3-azidoprop-1-enyl)-5-(trifluoromethyl)benzaldehyde
CID 169462541
4-(3-azidoprop-1-enyl)-5-bromo-2-chloropyridine
CID 169462754
4-[4-(3-azidoprop-1-enyl)phenoxy]aniline
CID 169462676
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
1-(3-azidoprop-1-enyl)-4-ethoxybenzene
CID 151962679

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-2,6-dibromophenol?
The IUPAC name of 4-(3-azidoprop-1-enyl)-2,6-dibromophenol (CID 169462874) is 4-(3-azidoprop-1-enyl)-2,6-dibromophenol.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-2,6-dibromophenol?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-2,6-dibromophenol is [N-]=[N+]=NCC=Cc1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-2,6-dibromophenol?
The InChIKey is JCAGZBNWZMZHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Br2N3O/c10-7-4-6(2-1-3-13-14-12)5-8(11)9(7)15/h1-2,4-5,15H,3H2.
What are the key properties of 4-(3-azidoprop-1-enyl)-2,6-dibromophenol?
4-(3-azidoprop-1-enyl)-2,6-dibromophenol has a molecular weight of 332.98 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-2,6-dibromophenol is sourced from PubChem (CID 169462874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).