2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid

C7H5BrFNO3 — CID 54312938

IUPAC2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
SMILESNc1c(O)c(Br)cc(F)c1C(=O)O
InChIInChI=1S/C7H5BrFNO3/c8-2-1-3(9)4(7(12)13)5(10)6(2)11/h1,11H,10H2,(H,12,13)
InChIKeySMDYHGQFMDZIDT-UHFFFAOYSA-N
MW250.02 g/mol
LogP1.57
Rot. Bonds1

About 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid

2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid (PubChem CID 54312938) has the molecular formula C7H5BrFNO3 and a molecular weight of 250.02 g/mol. Its IUPAC name is 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
PubChem CID54312938
Molecular FormulaC7H5BrFNO3
Molecular Weight250.02 g/mol
Exact Mass248.94
IUPAC Name2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid
SMILESNc1c(O)c(Br)cc(F)c1C(=O)O
InChIInChI=1S/C7H5BrFNO3/c8-2-1-3(9)4(7(12)13)5(10)6(2)11/h1,11H,10H2,(H,12,13)
InChIKeySMDYHGQFMDZIDT-UHFFFAOYSA-N
XLogP1.57
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.02
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid
CID 83903185
4-bromo-2,3,6-trifluorobenzoic acid
CID 59889044
2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
2-amino-4-bromo-6-fluorobenzoic acid
CID 67257607
2-amino-6-bromo-4-fluoro-3-nitrophenol
CID 90409818
4-bromo-2-fluoronaphthalene-1-carboxylic acid
CID 170334354
6-bromo-2,4-difluoro-3-(hydroxymethyl)benzoic acid
CID 118186627
2-bromo-6-fluoro-4-iodobenzoic acid
CID 74892438
3-amino-2,4-difluoro-6-hydroxybenzoic acid
CID 84770911
2-amino-6-bromo-4-fluorobenzoic acid
CID 122237255
2-bromo-6-fluoro-4-methylbenzoic acid
CID 119019979
2,6-dibromo-3,4-difluorophenol
CID 84814133

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid?
The IUPAC name of 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid (CID 54312938) is 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid.
What is the SMILES notation for 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid?
The canonical SMILES for 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid is Nc1c(O)c(Br)cc(F)c1C(=O)O.
What is the InChIKey of 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid?
The InChIKey is SMDYHGQFMDZIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrFNO3/c8-2-1-3(9)4(7(12)13)5(10)6(2)11/h1,11H,10H2,(H,12,13).
What are the key properties of 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid?
2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid has a molecular weight of 250.02 g/mol, XLogP of 1.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-6-fluoro-3-hydroxybenzoic acid is sourced from PubChem (CID 54312938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).