2-(2-amino-4-bromo-5-fluorophenyl)acetic acid

C8H7BrFNO2 — CID 131517676

IUPAC2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
SMILESNc1cc(Br)c(F)cc1CC(=O)O
InChIInChI=1S/C8H7BrFNO2/c9-5-3-7(11)4(1-6(5)10)2-8(12)13/h1,3H,2,11H2,(H,12,13)
InChIKeyNPLBFOVOBZUNTJ-UHFFFAOYSA-N
MW248.05 g/mol
LogP1.80
Rot. Bonds2

About 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid

2-(2-amino-4-bromo-5-fluorophenyl)acetic acid (PubChem CID 131517676) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
PubChem CID131517676
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
SMILESNc1cc(Br)c(F)cc1CC(=O)O
InChIInChI=1S/C8H7BrFNO2/c9-5-3-7(11)4(1-6(5)10)2-8(12)13/h1,3H,2,11H2,(H,12,13)
InChIKeyNPLBFOVOBZUNTJ-UHFFFAOYSA-N
XLogP1.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 51.80
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-(2-amino-4-bromo-5-iodophenyl)acetic acid
CID 171033950
2-(2-amino-4-chloro-5-fluorophenyl)acetic acid
CID 19763734
2-(5-bromo-4-fluoro-2-hydroxyphenyl)acetic acid
CID 83900317
2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
CID 146196960
5-bromo-2-butyl-4-fluoroaniline
CID 130537993
2-(3-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517658
2-(2-amino-4,6-difluorophenyl)acetic acid
CID 121232026
2-(4-amino-5-fluoro-2-methylphenyl)acetic acid
CID 91755197
2-(4-amino-2-fluoro-5-methylphenyl)acetic acid
CID 91755180
2-(2-amino-4-bromo-5-fluoroanilino)acetamide
CID 66111662
2-[2-bromo-5-fluoro-4-(trifluoromethyl)phenyl]acetic acid
CID 146676121
2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
CID 158167463

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid?
The IUPAC name of 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid (CID 131517676) is 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid?
The canonical SMILES for 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid is Nc1cc(Br)c(F)cc1CC(=O)O.
What is the InChIKey of 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid?
The InChIKey is NPLBFOVOBZUNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c9-5-3-7(11)4(1-6(5)10)2-8(12)13/h1,3H,2,11H2,(H,12,13).
What are the key properties of 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid?
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid has a molecular weight of 248.05 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-5-fluorophenyl)acetic acid is sourced from PubChem (CID 131517676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).