2-amino-4,6-dibromobenzoic acid

C7H5Br2NO2 — CID 12868557

IUPAC2-amino-4,6-dibromobenzoic acid
SMILESNc1cc(Br)cc(Br)c1C(=O)O
InChIInChI=1S/C7H5Br2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)
InChIKeyYGDDOHCJERWFJO-UHFFFAOYSA-N
MW294.93 g/mol
LogP2.49
Rot. Bonds1

About 2-amino-4,6-dibromobenzoic acid

2-amino-4,6-dibromobenzoic acid (PubChem CID 12868557) has the molecular formula C7H5Br2NO2 and a molecular weight of 294.93 g/mol. Its IUPAC name is 2-amino-4,6-dibromobenzoic acid.

Molecular Properties

Compound Name2-amino-4,6-dibromobenzoic acid
PubChem CID12868557
Molecular FormulaC7H5Br2NO2
Molecular Weight294.93 g/mol
Exact Mass292.87
IUPAC Name2-amino-4,6-dibromobenzoic acid
SMILESNc1cc(Br)cc(Br)c1C(=O)O
InChIInChI=1S/C7H5Br2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12)
InChIKeyYGDDOHCJERWFJO-UHFFFAOYSA-N
XLogP2.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.93
LogP ≤ 52.49
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-amino-6-bromo-4-fluorobenzoic acid
CID 122237255
2-amino-4-bromo-6-fluorobenzoic acid
CID 67257607
4-bromo-2,6-bis(sulfanyl)benzoic acid
CID 151143453
2-amino-6-bromobenzoic acid
CID 10560649
2-amino-4,6-dibromo-3-fluorobenzoic acid
CID 169315421
2,6-diamino-4-bromo-3-methylbenzoic acid
CID 150589706
4-amino-2-bromo-6-iodobenzoic acid
CID 166642106
3,5-dibromo-2-prop-1-en-2-ylbenzoic acid
CID 177194264
2-amino-4,6-dibromophenol;hydrochloride
CID 3063405
2-(2,6-diamino-4-bromophenyl)acetic acid
CID 171014717
2-amino-4-bromo-6-(trifluoromethoxy)benzamide
CID 119024469
1-(2-amino-4-bromo-6-chlorophenyl)-2-chloroethanone
CID 171011742

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromobenzoic acid?
The IUPAC name of 2-amino-4,6-dibromobenzoic acid (CID 12868557) is 2-amino-4,6-dibromobenzoic acid.
What is the SMILES notation for 2-amino-4,6-dibromobenzoic acid?
The canonical SMILES for 2-amino-4,6-dibromobenzoic acid is Nc1cc(Br)cc(Br)c1C(=O)O.
What is the InChIKey of 2-amino-4,6-dibromobenzoic acid?
The InChIKey is YGDDOHCJERWFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12).
What are the key properties of 2-amino-4,6-dibromobenzoic acid?
2-amino-4,6-dibromobenzoic acid has a molecular weight of 294.93 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromobenzoic acid is sourced from PubChem (CID 12868557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).