3,4-dibromo-2-methoxybenzoic acid

C8H6Br2O3 — CID 171002402

IUPAC3,4-dibromo-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)ccc(Br)c1Br
InChIInChI=1S/C8H6Br2O3/c1-13-7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3,(H,11,12)
InChIKeyQKUODHKIWMMJGB-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.92
Rot. Bonds2

About 3,4-dibromo-2-methoxybenzoic acid

3,4-dibromo-2-methoxybenzoic acid (PubChem CID 171002402) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is 3,4-dibromo-2-methoxybenzoic acid.

Molecular Properties

Compound Name3,4-dibromo-2-methoxybenzoic acid
PubChem CID171002402
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Name3,4-dibromo-2-methoxybenzoic acid
SMILESCOc1c(C(=O)O)ccc(Br)c1Br
InChIInChI=1S/C8H6Br2O3/c1-13-7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3,(H,11,12)
InChIKeyQKUODHKIWMMJGB-UHFFFAOYSA-N
XLogP2.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4-dibromo-2-methoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-methoxy-4,5-dimethylbenzoic acid
CID 50882990
2-hydroxy-3-methoxyterephthalic acid
CID 150906363
2-amino-3-methoxyterephthalic acid
CID 132516468
2-chloro-3-methoxyterephthalic acid
CID 126601706
ethoxyethane;2,3,4-tribromobenzoic acid
CID 67917078
3-bromo-4-methoxy-2-propan-2-yloxybenzoic acid
CID 14276515
3,5-dibromo-2-methoxybenzoic acid
CID 643392
3-hydroxy-2,4-dimethoxybenzoic acid
CID 20533708
1,2-dibromo-3-methoxy-4-methylbenzene
CID 54359469
6-bromo-2,3-dimethoxybenzoic acid
CID 11054430
4-(hydroxymethyl)-2,3-dimethoxybenzoic acid
CID 90442234
3-bromo-2-methoxy-5-phenylbenzoic acid
CID 50882923

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-2-methoxybenzoic acid?
The IUPAC name of 3,4-dibromo-2-methoxybenzoic acid (CID 171002402) is 3,4-dibromo-2-methoxybenzoic acid.
What is the SMILES notation for 3,4-dibromo-2-methoxybenzoic acid?
The canonical SMILES for 3,4-dibromo-2-methoxybenzoic acid is COc1c(C(=O)O)ccc(Br)c1Br.
What is the InChIKey of 3,4-dibromo-2-methoxybenzoic acid?
The InChIKey is QKUODHKIWMMJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c1-13-7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3,(H,11,12).
What are the key properties of 3,4-dibromo-2-methoxybenzoic acid?
3,4-dibromo-2-methoxybenzoic acid has a molecular weight of 309.94 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromo-2-methoxybenzoic acid is sourced from PubChem (CID 171002402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).