2-(3-amino-4,5-dibromophenyl)acetic acid

C8H7Br2NO2 — CID 171033980

IUPAC2-(3-amino-4,5-dibromophenyl)acetic acid
SMILESNc1cc(CC(=O)O)cc(Br)c1Br
InChIInChI=1S/C8H7Br2NO2/c9-5-1-4(3-7(12)13)2-6(11)8(5)10/h1-2H,3,11H2,(H,12,13)
InChIKeyPRPDDNVEAGASKD-UHFFFAOYSA-N
MW308.96 g/mol
LogP2.42
Rot. Bonds2

About 2-(3-amino-4,5-dibromophenyl)acetic acid

2-(3-amino-4,5-dibromophenyl)acetic acid (PubChem CID 171033980) has the molecular formula C8H7Br2NO2 and a molecular weight of 308.96 g/mol. Its IUPAC name is 2-(3-amino-4,5-dibromophenyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-4,5-dibromophenyl)acetic acid
PubChem CID171033980
Molecular FormulaC8H7Br2NO2
Molecular Weight308.96 g/mol
Exact Mass306.88
IUPAC Name2-(3-amino-4,5-dibromophenyl)acetic acid
SMILESNc1cc(CC(=O)O)cc(Br)c1Br
InChIInChI=1S/C8H7Br2NO2/c9-5-1-4(3-7(12)13)2-6(11)8(5)10/h1-2H,3,11H2,(H,12,13)
InChIKeyPRPDDNVEAGASKD-UHFFFAOYSA-N
XLogP2.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.96
LogP ≤ 52.42
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-(3-amino-5-bromo-4-chlorophenyl)acetic acid
CID 131299171
2-(3-amino-4-bromo-5-chlorophenyl)acetic acid
CID 131299172
2-(3-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517658
2-(3,5-diamino-4-chlorophenyl)acetic acid
CID 70542529
2-[3-bromo-5-(bromomethyl)-4-hydroxyphenyl]acetic acid
CID 166841013
2-(3,4-diamino-5-methylphenyl)acetic acid
CID 171013665
2-(3-bromo-5-chloro-4-methylphenyl)acetic acid
CID 171005978
2-(3-bromo-4-chloro-5-fluorophenyl)acetic acid
CID 83902718
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]-3,5-dibromophenyl]acetic acid
CID 168605427
2-(4-acetyl-3-amino-5-methylphenyl)acetic acid
CID 54067332
2-(2,6-diamino-4-bromophenyl)acetic acid
CID 171014717
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4,5-dibromophenyl)acetic acid?
The IUPAC name of 2-(3-amino-4,5-dibromophenyl)acetic acid (CID 171033980) is 2-(3-amino-4,5-dibromophenyl)acetic acid.
What is the SMILES notation for 2-(3-amino-4,5-dibromophenyl)acetic acid?
The canonical SMILES for 2-(3-amino-4,5-dibromophenyl)acetic acid is Nc1cc(CC(=O)O)cc(Br)c1Br.
What is the InChIKey of 2-(3-amino-4,5-dibromophenyl)acetic acid?
The InChIKey is PRPDDNVEAGASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2NO2/c9-5-1-4(3-7(12)13)2-6(11)8(5)10/h1-2H,3,11H2,(H,12,13).
What are the key properties of 2-(3-amino-4,5-dibromophenyl)acetic acid?
2-(3-amino-4,5-dibromophenyl)acetic acid has a molecular weight of 308.96 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4,5-dibromophenyl)acetic acid is sourced from PubChem (CID 171033980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).