5-bromo-2-fluoro-3-nitrophenol

C6H3BrFNO3 — CID 131137935

IUPAC5-bromo-2-fluoro-3-nitrophenol
SMILESO=[N+]([O-])c1cc(Br)cc(O)c1F
InChIInChI=1S/C6H3BrFNO3/c7-3-1-4(9(11)12)6(8)5(10)2-3/h1-2,10H
InChIKeyWAEMSTFZUUDKIJ-UHFFFAOYSA-N
MW236.00 g/mol
LogP2.20
Rot. Bonds1

About 5-bromo-2-fluoro-3-nitrophenol

5-bromo-2-fluoro-3-nitrophenol (PubChem CID 131137935) has the molecular formula C6H3BrFNO3 and a molecular weight of 236.00 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-nitrophenol.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-nitrophenol
PubChem CID131137935
Molecular FormulaC6H3BrFNO3
Molecular Weight236.00 g/mol
Exact Mass234.93
IUPAC Name5-bromo-2-fluoro-3-nitrophenol
SMILESO=[N+]([O-])c1cc(Br)cc(O)c1F
InChIInChI=1S/C6H3BrFNO3/c7-3-1-4(9(11)12)6(8)5(10)2-3/h1-2,10H
InChIKeyWAEMSTFZUUDKIJ-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

2,3,4-trifluoro-5-nitrophenol
CID 131582853
2-(5-bromo-2-fluoro-3-nitrophenyl)acetic acid
CID 131613589
5-bromo-1-(difluoromethyl)-2-fluoro-3-nitrobenzene
CID 131050884
5-bromo-2-fluoro-1-nitro-3-(trifluoromethyl)benzene
CID 21091423
1-(5-bromo-2-fluoro-3-nitrophenyl)-2-chloroethanone
CID 131626004
2-bromo-5-fluoro-4-nitrophenol
CID 66598465
2,4-dibromo-6-nitrobenzenesulfonamide
CID 43363665
5-bromo-2-(difluoromethyl)-1-fluoro-3-nitrobenzene
CID 118816368
2-(4-bromo-2-fluoro-6-nitrophenyl)-2-hydroxyacetic acid
CID 118821996
5-bromo-7-nitro-1-benzothiophen-2-ol
CID 130914447
4-bromo-2-(1-hydroxyethyl)-6-nitrophenol
CID 69261586
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-nitrophenol?
The IUPAC name of 5-bromo-2-fluoro-3-nitrophenol (CID 131137935) is 5-bromo-2-fluoro-3-nitrophenol.
What is the SMILES notation for 5-bromo-2-fluoro-3-nitrophenol?
The canonical SMILES for 5-bromo-2-fluoro-3-nitrophenol is O=[N+]([O-])c1cc(Br)cc(O)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-nitrophenol?
The InChIKey is WAEMSTFZUUDKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO3/c7-3-1-4(9(11)12)6(8)5(10)2-3/h1-2,10H.
What are the key properties of 5-bromo-2-fluoro-3-nitrophenol?
5-bromo-2-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 5-bromo-2-fluoro-3-nitrophenol is sourced from PubChem (CID 131137935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).