2,4-dibromo-1,5-difluoro-3-nitrobenzene

C6HBr2F2NO2 — CID 56973647

IUPAC2,4-dibromo-1,5-difluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1c(Br)c(F)cc(F)c1Br
InChIInChI=1S/C6HBr2F2NO2/c7-4-2(9)1-3(10)5(8)6(4)11(12)13/h1H
InChIKeyFHUKPGATLLJKLN-UHFFFAOYSA-N
MW316.88 g/mol
LogP3.40
Rot. Bonds1

About 2,4-dibromo-1,5-difluoro-3-nitrobenzene

2,4-dibromo-1,5-difluoro-3-nitrobenzene (PubChem CID 56973647) has the molecular formula C6HBr2F2NO2 and a molecular weight of 316.88 g/mol. Its IUPAC name is 2,4-dibromo-1,5-difluoro-3-nitrobenzene.

Molecular Properties

Compound Name2,4-dibromo-1,5-difluoro-3-nitrobenzene
PubChem CID56973647
Molecular FormulaC6HBr2F2NO2
Molecular Weight316.88 g/mol
Exact Mass314.83
IUPAC Name2,4-dibromo-1,5-difluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1c(Br)c(F)cc(F)c1Br
InChIInChI=1S/C6HBr2F2NO2/c7-4-2(9)1-3(10)5(8)6(4)11(12)13/h1H
InChIKeyFHUKPGATLLJKLN-UHFFFAOYSA-N
XLogP3.40
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
2,4-dichloro-1,5-difluoro-3-nitrobenzene
CID 10911296
1,2-dibromo-3-fluoro-5-nitrobenzene
CID 118841496
2-bromo-4-fluoro-3-nitroaniline
CID 119019567
3-bromo-2,5-difluoro-6-nitroaniline
CID 142620682
3-bromo-4-fluoro-2-nitrobenzenesulfonamide
CID 131342277
5-bromo-1-ethyl-3-fluoro-2-nitrobenzene
CID 118807869
5-bromo-3-fluoro-2-nitrobenzonitrile
CID 131028788
5-bromo-1-(bromomethyl)-3-fluoro-2-nitrobenzene
CID 130850398
2-bromo-1,3,4,5-tetranitrobenzene
CID 13213783
4-bromo-6-fluoro-3-methyl-2-nitroaniline
CID 130562796
1-(2-bromo-4-fluoro-3-nitrophenyl)ethanone
CID 119023442

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-1,5-difluoro-3-nitrobenzene?
The IUPAC name of 2,4-dibromo-1,5-difluoro-3-nitrobenzene (CID 56973647) is 2,4-dibromo-1,5-difluoro-3-nitrobenzene.
What is the SMILES notation for 2,4-dibromo-1,5-difluoro-3-nitrobenzene?
The canonical SMILES for 2,4-dibromo-1,5-difluoro-3-nitrobenzene is O=[N+]([O-])c1c(Br)c(F)cc(F)c1Br.
What is the InChIKey of 2,4-dibromo-1,5-difluoro-3-nitrobenzene?
The InChIKey is FHUKPGATLLJKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2F2NO2/c7-4-2(9)1-3(10)5(8)6(4)11(12)13/h1H.
What are the key properties of 2,4-dibromo-1,5-difluoro-3-nitrobenzene?
2,4-dibromo-1,5-difluoro-3-nitrobenzene has a molecular weight of 316.88 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-1,5-difluoro-3-nitrobenzene is sourced from PubChem (CID 56973647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).