1-azido-2-bromo-5-fluoro-4-iodobenzene

C6H2BrFIN3 — CID 169325318

IUPAC1-azido-2-bromo-5-fluoro-4-iodobenzene
SMILES[N-]=[N+]=Nc1cc(F)c(I)cc1Br
InChIInChI=1S/C6H2BrFIN3/c7-3-1-5(9)4(8)2-6(3)11-12-10/h1-2H
InChIKeyZXDDMWPVKASDMH-UHFFFAOYSA-N
MW341.91 g/mol
LogP4.13
Rot. Bonds1

About 1-azido-2-bromo-5-fluoro-4-iodobenzene

1-azido-2-bromo-5-fluoro-4-iodobenzene (PubChem CID 169325318) has the molecular formula C6H2BrFIN3 and a molecular weight of 341.91 g/mol. Its IUPAC name is 1-azido-2-bromo-5-fluoro-4-iodobenzene.

Molecular Properties

Compound Name1-azido-2-bromo-5-fluoro-4-iodobenzene
PubChem CID169325318
Molecular FormulaC6H2BrFIN3
Molecular Weight341.91 g/mol
Exact Mass340.85
IUPAC Name1-azido-2-bromo-5-fluoro-4-iodobenzene
SMILES[N-]=[N+]=Nc1cc(F)c(I)cc1Br
InChIInChI=1S/C6H2BrFIN3/c7-3-1-5(9)4(8)2-6(3)11-12-10/h1-2H
InChIKeyZXDDMWPVKASDMH-UHFFFAOYSA-N
XLogP4.13
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.91
LogP ≤ 54.13
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-azido-4-bromo-2,5-difluorobenzene
CID 90298794
1-azido-2,4-dibromo-3,5-difluorobenzene
CID 169324782
1-azido-5-bromo-4-fluoro-2-methylbenzene
CID 107593406
2-azido-1,4-dibromobenzene
CID 139064020
1-azido-2-bromo-4-(trifluoromethylsulfanyl)benzene
CID 151892372
4-azido-1-bromo-2-iodobenzene
CID 130499474
1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene
CID 169326651
3-azido-2-bromo-5-fluoropyridine
CID 150973100
1-azido-2-bromo-4-chloro-5-methoxybenzene
CID 150038194
1-azido-4-fluoro-2-iodo-3-methylbenzene
CID 169325747
1-azido-4-bromo-2,5-dichlorobenzene
CID 150548387
4-azido-3-bromobenzonitrile
CID 82802210

Frequently Asked Questions

What is the IUPAC name of 1-azido-2-bromo-5-fluoro-4-iodobenzene?
The IUPAC name of 1-azido-2-bromo-5-fluoro-4-iodobenzene (CID 169325318) is 1-azido-2-bromo-5-fluoro-4-iodobenzene.
What is the SMILES notation for 1-azido-2-bromo-5-fluoro-4-iodobenzene?
The canonical SMILES for 1-azido-2-bromo-5-fluoro-4-iodobenzene is [N-]=[N+]=Nc1cc(F)c(I)cc1Br.
What is the InChIKey of 1-azido-2-bromo-5-fluoro-4-iodobenzene?
The InChIKey is ZXDDMWPVKASDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrFIN3/c7-3-1-5(9)4(8)2-6(3)11-12-10/h1-2H.
What are the key properties of 1-azido-2-bromo-5-fluoro-4-iodobenzene?
1-azido-2-bromo-5-fluoro-4-iodobenzene has a molecular weight of 341.91 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2-bromo-5-fluoro-4-iodobenzene is sourced from PubChem (CID 169325318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).