2-amino-3-bromo-6-methoxybenzoic acid

C8H8BrNO3 — CID 62378772

IUPAC2-amino-3-bromo-6-methoxybenzoic acid
SMILESCOc1ccc(Br)c(N)c1C(=O)O
InChIInChI=1S/C8H8BrNO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKeyVRNHYOUHVGOECL-UHFFFAOYSA-N
MW246.06 g/mol
LogP1.74
Rot. Bonds2

About 2-amino-3-bromo-6-methoxybenzoic acid

2-amino-3-bromo-6-methoxybenzoic acid (PubChem CID 62378772) has the molecular formula C8H8BrNO3 and a molecular weight of 246.06 g/mol. Its IUPAC name is 2-amino-3-bromo-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-amino-3-bromo-6-methoxybenzoic acid
PubChem CID62378772
Molecular FormulaC8H8BrNO3
Molecular Weight246.06 g/mol
Exact Mass244.97
IUPAC Name2-amino-3-bromo-6-methoxybenzoic acid
SMILESCOc1ccc(Br)c(N)c1C(=O)O
InChIInChI=1S/C8H8BrNO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKeyVRNHYOUHVGOECL-UHFFFAOYSA-N
XLogP1.74
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
methyl 2-amino-6-bromo-3-methoxybenzoate
CID 61070417
2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
6-bromo-3-methoxy-2-methylaniline
CID 67280395
3-bromo-2-(2-carboxyethyl)-6-methoxybenzoic acid
CID 131881631
2-amino-6-bromo-3-methylbenzoic acid
CID 43629002
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
CID 151960724
6-bromo-3-methoxy-2-propoxybenzoic acid
CID 66528880
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-bromo-3-iodobenzoic acid
CID 177369050
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-6-methoxybenzoic acid?
The IUPAC name of 2-amino-3-bromo-6-methoxybenzoic acid (CID 62378772) is 2-amino-3-bromo-6-methoxybenzoic acid.
What is the SMILES notation for 2-amino-3-bromo-6-methoxybenzoic acid?
The canonical SMILES for 2-amino-3-bromo-6-methoxybenzoic acid is COc1ccc(Br)c(N)c1C(=O)O.
What is the InChIKey of 2-amino-3-bromo-6-methoxybenzoic acid?
The InChIKey is VRNHYOUHVGOECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3H,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-3-bromo-6-methoxybenzoic acid?
2-amino-3-bromo-6-methoxybenzoic acid has a molecular weight of 246.06 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-6-methoxybenzoic acid is sourced from PubChem (CID 62378772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).