2-amino-4-bromo-6-fluorobenzoic acid

C7H5BrFNO2 — CID 67257607

IUPAC2-amino-4-bromo-6-fluorobenzoic acid
SMILESNc1cc(Br)cc(F)c1C(=O)O
InChIInChI=1S/C7H5BrFNO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)
InChIKeyVWMWKITYXSGIIM-UHFFFAOYSA-N
MW234.02 g/mol
LogP1.87
Rot. Bonds1

About 2-amino-4-bromo-6-fluorobenzoic acid

2-amino-4-bromo-6-fluorobenzoic acid (PubChem CID 67257607) has the molecular formula C7H5BrFNO2 and a molecular weight of 234.02 g/mol. Its IUPAC name is 2-amino-4-bromo-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-4-bromo-6-fluorobenzoic acid
PubChem CID67257607
Molecular FormulaC7H5BrFNO2
Molecular Weight234.02 g/mol
Exact Mass232.95
IUPAC Name2-amino-4-bromo-6-fluorobenzoic acid
SMILESNc1cc(Br)cc(F)c1C(=O)O
InChIInChI=1S/C7H5BrFNO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)
InChIKeyVWMWKITYXSGIIM-UHFFFAOYSA-N
XLogP1.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dibromobenzoic acid
CID 12868557
2-amino-6-bromo-4-fluorobenzoic acid
CID 122237255
2-amino-4-ethyl-6-fluorobenzoic acid
CID 146075343
4-bromo-2,6-difluorobenzoic acid;4-bromo-2-fluoro-6-methylsulfanylbenzoic acid
CID 160791326
4-bromo-2-fluoro-6-(methylamino)benzoic acid
CID 90040369
2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
CID 54312938
2-amino-6-fluoro-4-pyrimidin-2-ylbenzoic acid
CID 165451224
2,6-dibromo-3,5-difluorobenzoic acid
CID 119014383
4-bromo-2,6-bis(sulfanyl)benzoic acid
CID 151143453
4-bromo-2,3,6-trifluorobenzoic acid
CID 59889044
2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-6-fluorobenzoic acid?
The IUPAC name of 2-amino-4-bromo-6-fluorobenzoic acid (CID 67257607) is 2-amino-4-bromo-6-fluorobenzoic acid.
What is the SMILES notation for 2-amino-4-bromo-6-fluorobenzoic acid?
The canonical SMILES for 2-amino-4-bromo-6-fluorobenzoic acid is Nc1cc(Br)cc(F)c1C(=O)O.
What is the InChIKey of 2-amino-4-bromo-6-fluorobenzoic acid?
The InChIKey is VWMWKITYXSGIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12).
What are the key properties of 2-amino-4-bromo-6-fluorobenzoic acid?
2-amino-4-bromo-6-fluorobenzoic acid has a molecular weight of 234.02 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-6-fluorobenzoic acid is sourced from PubChem (CID 67257607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).