1-azido-4-bromo-2,5-dichlorobenzene

C6H2BrCl2N3 — CID 150548387

IUPAC1-azido-4-bromo-2,5-dichlorobenzene
SMILES[N-]=[N+]=Nc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C6H2BrCl2N3/c7-3-1-5(9)6(11-12-10)2-4(3)8/h1-2H
InChIKeyIHIPOZGNJWTQOG-UHFFFAOYSA-N
MW266.91 g/mol
LogP4.70
Rot. Bonds1

About 1-azido-4-bromo-2,5-dichlorobenzene

1-azido-4-bromo-2,5-dichlorobenzene (PubChem CID 150548387) has the molecular formula C6H2BrCl2N3 and a molecular weight of 266.91 g/mol. Its IUPAC name is 1-azido-4-bromo-2,5-dichlorobenzene.

Molecular Properties

Compound Name1-azido-4-bromo-2,5-dichlorobenzene
PubChem CID150548387
Molecular FormulaC6H2BrCl2N3
Molecular Weight266.91 g/mol
Exact Mass264.88
IUPAC Name1-azido-4-bromo-2,5-dichlorobenzene
SMILES[N-]=[N+]=Nc1cc(Cl)c(Br)cc1Cl
InChIInChI=1S/C6H2BrCl2N3/c7-3-1-5(9)6(11-12-10)2-4(3)8/h1-2H
InChIKeyIHIPOZGNJWTQOG-UHFFFAOYSA-N
XLogP4.70
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.91
LogP ≤ 54.70
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': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-azido-2-bromo-4-chloro-5-methoxybenzene
CID 150038194
2-azido-3,7,8-trichlorodibenzo-p-dioxin
CID 70702086
1-azido-2-chloro-4-fluoro-5-methylbenzene
CID 130520816
2-azido-5-bromo-1,3-dichlorobenzene
CID 43154615
6-azido-5-chloro-1,3-benzoxazole
CID 151821768
2-azido-4-chloro-5-fluorophenol
CID 151595284
1-azido-4-bromo-2,5-difluorobenzene
CID 90298794
1-azido-2-bromo-4-[(E)-2-(4-chlorophenyl)ethenyl]benzene
CID 11573556
1-azido-2-chloro-5-fluoro-4-nitrobenzene
CID 151628176
4-Bromo-2,5-dichlorophenol sodium salt
CID 6335915
4-(2-azidoethyl)-1-bromo-2-chlorobenzene
CID 151119459
1,2-dibromo-4,5-dichlorobenzene
CID 4137564

Frequently Asked Questions

What is the IUPAC name of 1-azido-4-bromo-2,5-dichlorobenzene?
The IUPAC name of 1-azido-4-bromo-2,5-dichlorobenzene (CID 150548387) is 1-azido-4-bromo-2,5-dichlorobenzene.
What is the SMILES notation for 1-azido-4-bromo-2,5-dichlorobenzene?
The canonical SMILES for 1-azido-4-bromo-2,5-dichlorobenzene is [N-]=[N+]=Nc1cc(Cl)c(Br)cc1Cl.
What is the InChIKey of 1-azido-4-bromo-2,5-dichlorobenzene?
The InChIKey is IHIPOZGNJWTQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2N3/c7-3-1-5(9)6(11-12-10)2-4(3)8/h1-2H.
What are the key properties of 1-azido-4-bromo-2,5-dichlorobenzene?
1-azido-4-bromo-2,5-dichlorobenzene has a molecular weight of 266.91 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-4-bromo-2,5-dichlorobenzene is sourced from PubChem (CID 150548387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).