2-amino-6-bromo-4-fluoro-3-nitrophenol

C6H4BrFN2O3 — CID 90409818

IUPAC2-amino-6-bromo-4-fluoro-3-nitrophenol
SMILESNc1c(O)c(Br)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrFN2O3/c7-2-1-3(8)5(10(12)13)4(9)6(2)11/h1,11H,9H2
InChIKeyICOFDVZCZUJUHY-UHFFFAOYSA-N
MW251.01 g/mol
LogP1.78
Rot. Bonds1

About 2-amino-6-bromo-4-fluoro-3-nitrophenol

2-amino-6-bromo-4-fluoro-3-nitrophenol (PubChem CID 90409818) has the molecular formula C6H4BrFN2O3 and a molecular weight of 251.01 g/mol. Its IUPAC name is 2-amino-6-bromo-4-fluoro-3-nitrophenol.

Molecular Properties

Compound Name2-amino-6-bromo-4-fluoro-3-nitrophenol
PubChem CID90409818
Molecular FormulaC6H4BrFN2O3
Molecular Weight251.01 g/mol
Exact Mass249.94
IUPAC Name2-amino-6-bromo-4-fluoro-3-nitrophenol
SMILESNc1c(O)c(Br)cc(F)c1[N+](=O)[O-]
InChIInChI=1S/C6H4BrFN2O3/c7-2-1-3(8)5(10(12)13)4(9)6(2)11/h1,11H,9H2
InChIKeyICOFDVZCZUJUHY-UHFFFAOYSA-N
XLogP1.78
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.01
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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

3-bromo-2,5-difluoro-6-nitroaniline
CID 142620682
4-bromo-6-fluoro-3-methyl-2-nitroaniline
CID 130562796
3-bromo-5-fluoro-2-methanimidoyl-6-nitroaniline
CID 171564931
3-bromo-5-fluoro-2-nitro-6-(trifluoromethyl)aniline
CID 118338194
1-(5-amino-3-fluoro-2-nitrophenyl)-2-bromoethanone
CID 171018676
2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
CID 54312938
4-bromo-2,6-difluoro-3-nitrobenzamide
CID 118338248
3-bromo-2-nitro-5-(trifluoromethyl)aniline
CID 99770461
2,4-dibromo-1,5-difluoro-3-nitrobenzene
CID 56973647
3-bromo-5-fluoro-2-[(4-methylphenyl)methyliminomethyl]-6-nitroaniline
CID 171564943
5-bromo-4-fluoro-2-hydroxy-3-nitrobenzoic acid
CID 86097483
4,6-dibromo-3-hydroxy-2-nitrobenzoic acid
CID 10593300

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromo-4-fluoro-3-nitrophenol?
The IUPAC name of 2-amino-6-bromo-4-fluoro-3-nitrophenol (CID 90409818) is 2-amino-6-bromo-4-fluoro-3-nitrophenol.
What is the SMILES notation for 2-amino-6-bromo-4-fluoro-3-nitrophenol?
The canonical SMILES for 2-amino-6-bromo-4-fluoro-3-nitrophenol is Nc1c(O)c(Br)cc(F)c1[N+](=O)[O-].
What is the InChIKey of 2-amino-6-bromo-4-fluoro-3-nitrophenol?
The InChIKey is ICOFDVZCZUJUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O3/c7-2-1-3(8)5(10(12)13)4(9)6(2)11/h1,11H,9H2.
What are the key properties of 2-amino-6-bromo-4-fluoro-3-nitrophenol?
2-amino-6-bromo-4-fluoro-3-nitrophenol has a molecular weight of 251.01 g/mol, XLogP of 1.78, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromo-4-fluoro-3-nitrophenol is sourced from PubChem (CID 90409818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).