2-amino-6-bromobenzoic acid

C7H6BrNO2 — CID 10560649

IUPAC2-amino-6-bromobenzoic acid
SMILESNc1cccc(Br)c1C(=O)O
InChIInChI=1S/C7H6BrNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKeyBNQPROAXWQCNKO-UHFFFAOYSA-N
MW216.03 g/mol
LogP1.73
Rot. Bonds1

About 2-amino-6-bromobenzoic acid

2-amino-6-bromobenzoic acid (PubChem CID 10560649) has the molecular formula C7H6BrNO2 and a molecular weight of 216.03 g/mol. Its IUPAC name is 2-amino-6-bromobenzoic acid.

Molecular Properties

Compound Name2-amino-6-bromobenzoic acid
PubChem CID10560649
Molecular FormulaC7H6BrNO2
Molecular Weight216.03 g/mol
Exact Mass214.96
IUPAC Name2-amino-6-bromobenzoic acid
SMILESNc1cccc(Br)c1C(=O)O
InChIInChI=1S/C7H6BrNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKeyBNQPROAXWQCNKO-UHFFFAOYSA-N
XLogP1.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 51.73
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

1-(2-amino-6-bromophenyl)-2,2,2-trifluoroethanone
CID 97301770
2-amino-6-bromo-N-methylbenzohydrazide;ethane
CID 145124987
2-amino-6-iodobenzoic acid
CID 12761007
2-amino-6-[(E)-2-(3-amino-2-carboxyphenyl)ethenyl]benzoic acid
CID 67351270
2-amino-6-[(3-bromo-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114759968
6-amino-3-bromo-2-methylbenzoic acid
CID 15885809
3-amino-2-carboxybenzoate
CID 58908240
2-amino-4,6-dibromobenzoic acid
CID 12868557
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-bromobenzenecarboximidamide
CID 114883758
acetic acid;2-amino-6-chlorobenzoic acid
CID 175066849
2-bromo-6-(methylamino)benzoic acid
CID 114887837

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-bromobenzoic acid?
The IUPAC name of 2-amino-6-bromobenzoic acid (CID 10560649) is 2-amino-6-bromobenzoic acid.
What is the SMILES notation for 2-amino-6-bromobenzoic acid?
The canonical SMILES for 2-amino-6-bromobenzoic acid is Nc1cccc(Br)c1C(=O)O.
What is the InChIKey of 2-amino-6-bromobenzoic acid?
The InChIKey is BNQPROAXWQCNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11).
What are the key properties of 2-amino-6-bromobenzoic acid?
2-amino-6-bromobenzoic acid has a molecular weight of 216.03 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-bromobenzoic acid is sourced from PubChem (CID 10560649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).