6-bromo-2,3-dimethoxybenzoic acid

C9H9BrO4 — CID 11054430

IUPAC6-bromo-2,3-dimethoxybenzoic acid
SMILESCOc1ccc(Br)c(C(=O)O)c1OC
InChIInChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)7(9(11)12)8(6)14-2/h3-4H,1-2H3,(H,11,12)
InChIKeyAJANRRXNCDJJFF-UHFFFAOYSA-N
MW261.07 g/mol
LogP2.16
Rot. Bonds3

About 6-bromo-2,3-dimethoxybenzoic acid

6-bromo-2,3-dimethoxybenzoic acid (PubChem CID 11054430) has the molecular formula C9H9BrO4 and a molecular weight of 261.07 g/mol. Its IUPAC name is 6-bromo-2,3-dimethoxybenzoic acid.

Molecular Properties

Compound Name6-bromo-2,3-dimethoxybenzoic acid
PubChem CID11054430
Molecular FormulaC9H9BrO4
Molecular Weight261.07 g/mol
Exact Mass259.97
IUPAC Name6-bromo-2,3-dimethoxybenzoic acid
SMILESCOc1ccc(Br)c(C(=O)O)c1OC
InChIInChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)7(9(11)12)8(6)14-2/h3-4H,1-2H3,(H,11,12)
InChIKeyAJANRRXNCDJJFF-UHFFFAOYSA-N
XLogP2.16
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.07
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-methoxy-2-propoxybenzoic acid
CID 66528880
6-bromo-2-(cyclopropylmethoxy)-3-methoxybenzoic acid
CID 117484659
2-amino-3-bromo-6-methoxybenzoic acid
CID 62378772
6-carbamoyl-2,3-dimethoxybenzoic acid
CID 90976735
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
2-(2-carboxy-3,4-dimethoxyphenyl)-3,4,5,6-tetramethoxybenzoic acid
CID 22420303
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
2-bromo-1-(3-bromo-2,6-dimethoxyphenyl)ethanone
CID 102137910
3-bromo-2-(2-carboxyethyl)-6-methoxybenzoic acid
CID 131881631
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763
7-bromo-4-methoxy-1-benzothiophene-2-carboxylic acid
CID 22721627
(6-bromo-2,3-dimethoxyphenyl)-(6,7-dimethoxy-1-methylidene-3,4-dihydroisoquinolin-2-yl)methanone
CID 10917323

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dimethoxybenzoic acid?
The IUPAC name of 6-bromo-2,3-dimethoxybenzoic acid (CID 11054430) is 6-bromo-2,3-dimethoxybenzoic acid.
What is the SMILES notation for 6-bromo-2,3-dimethoxybenzoic acid?
The canonical SMILES for 6-bromo-2,3-dimethoxybenzoic acid is COc1ccc(Br)c(C(=O)O)c1OC.
What is the InChIKey of 6-bromo-2,3-dimethoxybenzoic acid?
The InChIKey is AJANRRXNCDJJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO4/c1-13-6-4-3-5(10)7(9(11)12)8(6)14-2/h3-4H,1-2H3,(H,11,12).
What are the key properties of 6-bromo-2,3-dimethoxybenzoic acid?
6-bromo-2,3-dimethoxybenzoic acid has a molecular weight of 261.07 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dimethoxybenzoic acid is sourced from PubChem (CID 11054430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).