2-bromo-6-fluoro-3-nitrophenol

C6H3BrFNO3 — CID 119015559

IUPAC2-bromo-6-fluoro-3-nitrophenol
SMILESO=[N+]([O-])c1ccc(F)c(O)c1Br
InChIInChI=1S/C6H3BrFNO3/c7-5-4(9(11)12)2-1-3(8)6(5)10/h1-2,10H
InChIKeyFXQLPBYNRSVJHT-UHFFFAOYSA-N
MW236.00 g/mol
LogP2.20
Rot. Bonds1

About 2-bromo-6-fluoro-3-nitrophenol

2-bromo-6-fluoro-3-nitrophenol (PubChem CID 119015559) has the molecular formula C6H3BrFNO3 and a molecular weight of 236.00 g/mol. Its IUPAC name is 2-bromo-6-fluoro-3-nitrophenol.

Molecular Properties

Compound Name2-bromo-6-fluoro-3-nitrophenol
PubChem CID119015559
Molecular FormulaC6H3BrFNO3
Molecular Weight236.00 g/mol
Exact Mass234.93
IUPAC Name2-bromo-6-fluoro-3-nitrophenol
SMILESO=[N+]([O-])c1ccc(F)c(O)c1Br
InChIInChI=1S/C6H3BrFNO3/c7-5-4(9(11)12)2-1-3(8)6(5)10/h1-2,10H
InChIKeyFXQLPBYNRSVJHT-UHFFFAOYSA-N
XLogP2.20
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.00
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1,2-difluoro-4-nitrobenzene
CID 574589
2-bromo-4-nitrobenzene-1,3-diol
CID 86810433
3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene
CID 118836001
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
2-bromo-1,4-difluoro-3-nitrobenzene
CID 118807842
2-bromo-3-fluoro-6-nitrobenzenesulfonyl chloride
CID 171029859
2-bromo-3-methyl-6-nitrophenol;ethane
CID 143941007
2,6-difluoro-3-nitrobenzamide
CID 2780101
6-fluoro-2-iodo-3-nitrobenzoic acid
CID 131545530
2-bromo-5-fluoro-4-nitrophenol
CID 66598465
6-bromo-2-methyl-3-nitrophenol
CID 130927076
2-(4-bromophenyl)-1-(2,6-difluoro-3-nitrophenyl)ethanone
CID 79757958

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-3-nitrophenol?
The IUPAC name of 2-bromo-6-fluoro-3-nitrophenol (CID 119015559) is 2-bromo-6-fluoro-3-nitrophenol.
What is the SMILES notation for 2-bromo-6-fluoro-3-nitrophenol?
The canonical SMILES for 2-bromo-6-fluoro-3-nitrophenol is O=[N+]([O-])c1ccc(F)c(O)c1Br.
What is the InChIKey of 2-bromo-6-fluoro-3-nitrophenol?
The InChIKey is FXQLPBYNRSVJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO3/c7-5-4(9(11)12)2-1-3(8)6(5)10/h1-2,10H.
What are the key properties of 2-bromo-6-fluoro-3-nitrophenol?
2-bromo-6-fluoro-3-nitrophenol has a molecular weight of 236.00 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-3-nitrophenol is sourced from PubChem (CID 119015559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).