1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene

C14H10BrN3 — CID 100945637

IUPAC1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene
SMILES[N-]=[N+]=Nc1ccc(/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10BrN3/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)17-18-16/h1-10H/b2-1+
InChIKeyRANODZJCVITAJW-OWOJBTEDSA-N
MW300.16 g/mol
LogP5.56
Rot. Bonds3

About 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene

1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene (PubChem CID 100945637) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene
PubChem CID100945637
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene
SMILES[N-]=[N+]=Nc1ccc(/C=C/c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H10BrN3/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)17-18-16/h1-10H/b2-1+
InChIKeyRANODZJCVITAJW-OWOJBTEDSA-N
XLogP5.56
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.16
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-azidophenyl)ethenyl]benzaldehyde
CID 4829281
1-azido-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
CID 11644565
1-azido-4-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 100945639
2-[(E)-2-(4-azidophenyl)ethenyl]-1,3-benzothiazole
CID 71665743
CID 158206097
CID 158206097
methyl (E)-3-(4-azidophenyl)prop-2-enoate
CID 11009012
2-[4-(4-azidophenyl)buta-1,3-dienyl]furan
CID 54209593
1-azido-4-[1-(4-azidophenyl)prop-1-en-2-yl]benzene
CID 153309970
4-[(E)-2-(4-bromophenyl)ethenyl]aniline
CID 165349864
1-azido-4-(18F)fluorobenzene
CID 15186747
3-(4-azidophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 54106936
2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-5-[(E)-2-(4-bromophenyl)ethenyl]pyridine
CID 172537257

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene?
The IUPAC name of 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene (CID 100945637) is 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene.
What is the SMILES notation for 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene?
The canonical SMILES for 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene is [N-]=[N+]=Nc1ccc(/C=C/c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene?
The InChIKey is RANODZJCVITAJW-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)17-18-16/h1-10H/b2-1+.
What are the key properties of 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene?
1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene has a molecular weight of 300.16 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene is sourced from PubChem (CID 100945637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).