3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde

C10H8BrN3O — CID 169462862

IUPAC3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
SMILES[N-]=[N+]=NCC=Cc1cccc(C=O)c1Br
InChIInChI=1S/C10H8BrN3O/c11-10-8(5-2-6-13-14-12)3-1-4-9(10)7-15/h1-5,7H,6H2
InChIKeyPVDDWMOHUHTBDO-UHFFFAOYSA-N
MW266.10 g/mol
LogP3.59
Rot. Bonds4

About 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde

3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde (PubChem CID 169462862) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde.

Molecular Properties

Compound Name3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
PubChem CID169462862
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
SMILES[N-]=[N+]=NCC=Cc1cccc(C=O)c1Br
InChIInChI=1S/C10H8BrN3O/c11-10-8(5-2-6-13-14-12)3-1-4-9(10)7-15/h1-5,7H,6H2
InChIKeyPVDDWMOHUHTBDO-UHFFFAOYSA-N
XLogP3.59
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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-(3-azidoprop-1-enyl)-2-bromobenzaldehyde 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

2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
6-(3-azidoprop-1-enyl)-1,3-benzodioxole-5-carbaldehyde
CID 169462417
2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
CID 169462001
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
2-(3-azidoprop-1-enyl)-6-chlorobenzoic acid
CID 169461967
2-(3-azidoprop-1-enyl)benzenesulfonamide
CID 169462115
[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
CID 169461646
4-(3-azidoprop-1-enyl)-1,3-benzothiazol-2-amine
CID 169461904
5-(3-azidoprop-1-enyl)furan-2-carbaldehyde
CID 169461233

Frequently Asked Questions

What is the IUPAC name of 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde?
The IUPAC name of 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde (CID 169462862) is 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde.
What is the SMILES notation for 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde?
The canonical SMILES for 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde is [N-]=[N+]=NCC=Cc1cccc(C=O)c1Br.
What is the InChIKey of 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde?
The InChIKey is PVDDWMOHUHTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-10-8(5-2-6-13-14-12)3-1-4-9(10)7-15/h1-5,7H,6H2.
What are the key properties of 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde?
3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde has a molecular weight of 266.10 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde is sourced from PubChem (CID 169462862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).