2-azido-5-bromo-1,3-dichlorobenzene

C6H2BrCl2N3 — CID 43154615

IUPAC2-azido-5-bromo-1,3-dichlorobenzene
SMILES[N-]=[N+]=Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C6H2BrCl2N3/c7-3-1-4(8)6(11-12-10)5(9)2-3/h1-2H
InChIKeyJAKHVTRBXQUMNR-UHFFFAOYSA-N
MW266.91 g/mol
LogP4.70
Rot. Bonds1

About 2-azido-5-bromo-1,3-dichlorobenzene

2-azido-5-bromo-1,3-dichlorobenzene (PubChem CID 43154615) has the molecular formula C6H2BrCl2N3 and a molecular weight of 266.91 g/mol. Its IUPAC name is 2-azido-5-bromo-1,3-dichlorobenzene.

Molecular Properties

Compound Name2-azido-5-bromo-1,3-dichlorobenzene
PubChem CID43154615
Molecular FormulaC6H2BrCl2N3
Molecular Weight266.91 g/mol
Exact Mass264.88
IUPAC Name2-azido-5-bromo-1,3-dichlorobenzene
SMILES[N-]=[N+]=Nc1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C6H2BrCl2N3/c7-3-1-4(8)6(11-12-10)5(9)2-3/h1-2H
InChIKeyJAKHVTRBXQUMNR-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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-5-bromo-1,3-dichlorobenzene 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-[(4-azido-5-fluoro-3-pyridinyl)methylideneamino]-5-bromo-3-chlorobenzonitrile
CID 123408491
2-azido-1,3-dichloro-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)benzene
CID 86675636
1-azido-4-bromo-2,5-dichlorobenzene
CID 150548387
methyl 4-azido-3,5-dibromobenzoate
CID 15005123
2-azido-1,5-dibromo-3-(difluoromethoxy)benzene
CID 152615033
4-azido-1,3-dibromo-2-chloro-5-methoxybenzene
CID 150421418
3-azido-1-chloro-2,4-dimethylbenzene
CID 151172193
2-azido-3-chlorobenzenethiol
CID 150009938
1-azido-2-bromo-4-chloro-5-methoxybenzene
CID 150038194
2-azido-1,4-dibromobenzene
CID 139064020
2-azido-1-chloro-3-nitro-5-(trifluoromethyl)benzene
CID 152639889
2-azido-4-chloro-5-fluorophenol
CID 151595284

Frequently Asked Questions

What is the IUPAC name of 2-azido-5-bromo-1,3-dichlorobenzene?
The IUPAC name of 2-azido-5-bromo-1,3-dichlorobenzene (CID 43154615) is 2-azido-5-bromo-1,3-dichlorobenzene.
What is the SMILES notation for 2-azido-5-bromo-1,3-dichlorobenzene?
The canonical SMILES for 2-azido-5-bromo-1,3-dichlorobenzene is [N-]=[N+]=Nc1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 2-azido-5-bromo-1,3-dichlorobenzene?
The InChIKey is JAKHVTRBXQUMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrCl2N3/c7-3-1-4(8)6(11-12-10)5(9)2-3/h1-2H.
What are the key properties of 2-azido-5-bromo-1,3-dichlorobenzene?
2-azido-5-bromo-1,3-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 2-azido-5-bromo-1,3-dichlorobenzene is sourced from PubChem (CID 43154615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).