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

C14H9BrClN3 — CID 11573556

IUPAC1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
SMILES[N-]=[N+]=Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C14H9BrClN3/c15-13-9-11(5-8-14(13)18-19-17)2-1-10-3-6-12(16)7-4-10/h1-9H/b2-1+
InChIKeyKXVPYXIPTLKGNC-OWOJBTEDSA-N
MW334.60 g/mol
LogP6.21
Rot. Bonds3

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

1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene (PubChem CID 11573556) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
PubChem CID11573556
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC Name1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
SMILES[N-]=[N+]=Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C14H9BrClN3/c15-13-9-11(5-8-14(13)18-19-17)2-1-10-3-6-12(16)7-4-10/h1-9H/b2-1+
InChIKeyKXVPYXIPTLKGNC-OWOJBTEDSA-N
XLogP6.21
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.60
LogP ≤ 56.21
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

1-azido-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
CID 11644565
2-azido-5-chlorobenzenethiol
CID 150684817
1-azido-4-[(E)-2-(4-bromophenyl)ethenyl]benzene
CID 100945637
4-azido-3-bromobenzonitrile
CID 82802210
(4-azido-3-bromophenyl)methanol
CID 46929875
1-azido-4-bromo-2,5-dichlorobenzene
CID 150548387
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
5-[2-(4-azido-3-methoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 54425378
1-azido-2-bromo-4-(trifluoromethylsulfanyl)benzene
CID 151892372
1-chloro-3-[2-(4-chlorophenyl)ethenyl]benzene
CID 66772159
1-azido-2-bromo-4-(difluoromethylsulfonyl)benzene
CID 169326408
2-azido-1,4-dibromobenzene
CID 139064020

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene?
The IUPAC name of 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene (CID 11573556) is 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene.
What is the SMILES notation for 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene?
The canonical SMILES for 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene is [N-]=[N+]=Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene?
The InChIKey is KXVPYXIPTLKGNC-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H9BrClN3/c15-13-9-11(5-8-14(13)18-19-17)2-1-10-3-6-12(16)7-4-10/h1-9H/b2-1+.
What are the key properties of 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene?
1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene has a molecular weight of 334.60 g/mol, XLogP of 6.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene is sourced from PubChem (CID 11573556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).