1-azido-2,4-dibromo-3,5-difluorobenzene

C6HBr2F2N3 — CID 169324782

IUPAC1-azido-2,4-dibromo-3,5-difluorobenzene
SMILES[N-]=[N+]=Nc1cc(F)c(Br)c(F)c1Br
InChIInChI=1S/C6HBr2F2N3/c7-4-2(9)1-3(12-13-11)5(8)6(4)10/h1H
InChIKeyLQOOJQLHCAJNDN-UHFFFAOYSA-N
MW312.90 g/mol
LogP4.43
Rot. Bonds1

About 1-azido-2,4-dibromo-3,5-difluorobenzene

1-azido-2,4-dibromo-3,5-difluorobenzene (PubChem CID 169324782) has the molecular formula C6HBr2F2N3 and a molecular weight of 312.90 g/mol. Its IUPAC name is 1-azido-2,4-dibromo-3,5-difluorobenzene.

Molecular Properties

Compound Name1-azido-2,4-dibromo-3,5-difluorobenzene
PubChem CID169324782
Molecular FormulaC6HBr2F2N3
Molecular Weight312.90 g/mol
Exact Mass310.85
IUPAC Name1-azido-2,4-dibromo-3,5-difluorobenzene
SMILES[N-]=[N+]=Nc1cc(F)c(Br)c(F)c1Br
InChIInChI=1S/C6HBr2F2N3/c7-4-2(9)1-3(12-13-11)5(8)6(4)10/h1H
InChIKeyLQOOJQLHCAJNDN-UHFFFAOYSA-N
XLogP4.43
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.90
LogP ≤ 54.43
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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-azido-4-bromo-2,5-difluorobenzene
CID 90298794
1-azido-2-bromo-5-fluoro-4-iodobenzene
CID 169325318
1-azido-5-bromo-4-fluoro-2-methylbenzene
CID 107593406
3-azido-2-bromo-5-fluoropyridine
CID 150973100
1-azido-4-bromo-2-(trifluoromethoxy)benzene
CID 150673449
1-azido-2,3-difluoro-5-methoxy-4-methylbenzene
CID 169326636
1-azido-4-bromo-3-fluoro-2-(trifluoromethyl)benzene
CID 169326651
6-azido-3-bromo-2-fluorobenzoic acid
CID 169324817
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
2-azido-1,4-dibromobenzene
CID 139064020
1-azido-4-fluoro-2-iodo-3-methylbenzene
CID 169325747
1-azido-2-chloro-4-fluoro-5-methylbenzene
CID 130520816

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,4-dibromo-3,5-difluorobenzene?
The IUPAC name of 1-azido-2,4-dibromo-3,5-difluorobenzene (CID 169324782) is 1-azido-2,4-dibromo-3,5-difluorobenzene.
What is the SMILES notation for 1-azido-2,4-dibromo-3,5-difluorobenzene?
The canonical SMILES for 1-azido-2,4-dibromo-3,5-difluorobenzene is [N-]=[N+]=Nc1cc(F)c(Br)c(F)c1Br.
What is the InChIKey of 1-azido-2,4-dibromo-3,5-difluorobenzene?
The InChIKey is LQOOJQLHCAJNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2F2N3/c7-4-2(9)1-3(12-13-11)5(8)6(4)10/h1H.
What are the key properties of 1-azido-2,4-dibromo-3,5-difluorobenzene?
1-azido-2,4-dibromo-3,5-difluorobenzene has a molecular weight of 312.90 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,4-dibromo-3,5-difluorobenzene is sourced from PubChem (CID 169324782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).