2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid

C8H7BrFNO3 — CID 77129596

IUPAC2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
SMILESNC(C(=O)O)c1cc(Br)cc(F)c1O
InChIInChI=1S/C8H7BrFNO3/c9-3-1-4(6(11)8(13)14)7(12)5(10)2-3/h1-2,6,12H,11H2,(H,13,14)
InChIKeyLAVJILNWPAXNEJ-UHFFFAOYSA-N
MW264.05 g/mol
LogP1.38
Rot. Bonds2

About 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid

2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid (PubChem CID 77129596) has the molecular formula C8H7BrFNO3 and a molecular weight of 264.05 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
PubChem CID77129596
Molecular FormulaC8H7BrFNO3
Molecular Weight264.05 g/mol
Exact Mass262.96
IUPAC Name2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
SMILESNC(C(=O)O)c1cc(Br)cc(F)c1O
InChIInChI=1S/C8H7BrFNO3/c9-3-1-4(6(11)8(13)14)7(12)5(10)2-3/h1-2,6,12H,11H2,(H,13,14)
InChIKeyLAVJILNWPAXNEJ-UHFFFAOYSA-N
XLogP1.38
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.05
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid (CID 77129596) is 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid is NC(C(=O)O)c1cc(Br)cc(F)c1O.
What is the InChIKey of 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid?
The InChIKey is LAVJILNWPAXNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO3/c9-3-1-4(6(11)8(13)14)7(12)5(10)2-3/h1-2,6,12H,11H2,(H,13,14).
What are the key properties of 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid?
2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid has a molecular weight of 264.05 g/mol, XLogP of 1.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid is sourced from PubChem (CID 77129596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).