2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid

C8H6BrF2NO2 — CID 84807691

IUPAC2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid
SMILESNC(C(=O)O)c1cc(Br)cc(F)c1F
InChIInChI=1S/C8H6BrF2NO2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,12H2,(H,13,14)
InChIKeyXNKIIXUPSQQFLA-UHFFFAOYSA-N
MW266.04 g/mol
LogP1.81
Rot. Bonds2

About 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid

2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid (PubChem CID 84807691) has the molecular formula C8H6BrF2NO2 and a molecular weight of 266.04 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid
PubChem CID84807691
Molecular FormulaC8H6BrF2NO2
Molecular Weight266.04 g/mol
Exact Mass264.95
IUPAC Name2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid
SMILESNC(C(=O)O)c1cc(Br)cc(F)c1F
InChIInChI=1S/C8H6BrF2NO2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,12H2,(H,13,14)
InChIKeyXNKIIXUPSQQFLA-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 77129596
(2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetic acid
CID 130691393
2-amino-2-(5-chloro-2,3-difluorophenyl)acetic acid
CID 84788280
2-(5-bromo-2,3-difluorophenyl)propanoic acid
CID 84807513
2-amino-2-[5-bromo-2-fluoro-3-(methoxymethyl)phenyl]acetic acid
CID 117471362
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246
2-amino-2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117115132
(2S)-2-amino-2-(5-bromo-2,3-difluoro-6-hydroxyphenyl)acetic acid
CID 66513152
2-amino-2-(3,5-dichloro-2-fluorophenyl)acetic acid
CID 77129186
methyl (2R)-2-amino-2-(5-bromo-3-fluoro-2-hydroxyphenyl)acetate
CID 131264522
2-(3,5-dibromo-2-fluorophenyl)-2-hydroxyacetic acid
CID 171008427
2-(5-bromo-3-fluoro-2-iodophenyl)-2-hydroxyacetic acid
CID 171001339

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid (CID 84807691) is 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid is NC(C(=O)O)c1cc(Br)cc(F)c1F.
What is the InChIKey of 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid?
The InChIKey is XNKIIXUPSQQFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF2NO2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,12H2,(H,13,14).
What are the key properties of 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid?
2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid has a molecular weight of 266.04 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-2,3-difluorophenyl)acetic acid is sourced from PubChem (CID 84807691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).