2-amino-4-bromo-3,5-dichlorobenzoic acid

C7H4BrCl2NO2 — CID 118019194

IUPAC2-amino-4-bromo-3,5-dichlorobenzoic acid
SMILESNc1c(C(=O)O)cc(Cl)c(Br)c1Cl
InChIInChI=1S/C7H4BrCl2NO2/c8-4-3(9)1-2(7(12)13)6(11)5(4)10/h1H,11H2,(H,12,13)
InChIKeyXPGPHSAKSREIFV-UHFFFAOYSA-N
MW284.92 g/mol
LogP3.04
Rot. Bonds1

About 2-amino-4-bromo-3,5-dichlorobenzoic acid

2-amino-4-bromo-3,5-dichlorobenzoic acid (PubChem CID 118019194) has the molecular formula C7H4BrCl2NO2 and a molecular weight of 284.92 g/mol. Its IUPAC name is 2-amino-4-bromo-3,5-dichlorobenzoic acid.

Molecular Properties

Compound Name2-amino-4-bromo-3,5-dichlorobenzoic acid
PubChem CID118019194
Molecular FormulaC7H4BrCl2NO2
Molecular Weight284.92 g/mol
Exact Mass282.88
IUPAC Name2-amino-4-bromo-3,5-dichlorobenzoic acid
SMILESNc1c(C(=O)O)cc(Cl)c(Br)c1Cl
InChIInChI=1S/C7H4BrCl2NO2/c8-4-3(9)1-2(7(12)13)6(11)5(4)10/h1H,11H2,(H,12,13)
InChIKeyXPGPHSAKSREIFV-UHFFFAOYSA-N
XLogP3.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.92
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-3-chloro-4-methylbenzoic acid
CID 122552787
3-bromo-2,4,6-trichloroaniline
CID 14898479
2-amino-5-bromo-4-chloro-3-methoxybenzoic acid
CID 90257890
5-bromo-4,6-dichlorobenzene-1,3-dicarboxylic acid
CID 21417330
2-amino-4-bromo-5-chlorobenzoic acid;oxocopper
CID 159753052
2-amino-5-(bromomethyl)-3-chlorobenzoic acid
CID 175569613
4-bromo-5-chloro-2-fluoro-3-methylbenzoic acid
CID 146235171
2-amino-5-chloro-3-iodo-4-methylbenzoic acid
CID 87269500
2-bromo-5-chloro-4-hydroxybenzoic acid
CID 131397859
4-amino-5-bromobenzene-1,3-dicarboxylic acid
CID 43828796
2-amino-4-chloro-3-iodo-5-(trifluoromethyl)benzoic acid
CID 156507428
6-amino-7-chloro-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
CID 89378308

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-3,5-dichlorobenzoic acid?
The IUPAC name of 2-amino-4-bromo-3,5-dichlorobenzoic acid (CID 118019194) is 2-amino-4-bromo-3,5-dichlorobenzoic acid.
What is the SMILES notation for 2-amino-4-bromo-3,5-dichlorobenzoic acid?
The canonical SMILES for 2-amino-4-bromo-3,5-dichlorobenzoic acid is Nc1c(C(=O)O)cc(Cl)c(Br)c1Cl.
What is the InChIKey of 2-amino-4-bromo-3,5-dichlorobenzoic acid?
The InChIKey is XPGPHSAKSREIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrCl2NO2/c8-4-3(9)1-2(7(12)13)6(11)5(4)10/h1H,11H2,(H,12,13).
What are the key properties of 2-amino-4-bromo-3,5-dichlorobenzoic acid?
2-amino-4-bromo-3,5-dichlorobenzoic acid has a molecular weight of 284.92 g/mol, XLogP of 3.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-3,5-dichlorobenzoic acid is sourced from PubChem (CID 118019194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).