3,5-dibromo-2-methoxybenzoic acid

C8H6Br2O3 — CID 643392

IUPAC3,5-dibromo-2-methoxybenzoic acid
SMILESCOc1c(Br)cc(Br)cc1C(=O)O
InChIInChI=1S/C8H6Br2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChIKeyGDGFGZWIQSUSAX-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.92
Rot. Bonds2

About 3,5-dibromo-2-methoxybenzoic acid

3,5-dibromo-2-methoxybenzoic acid (PubChem CID 643392) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is 3,5-dibromo-2-methoxybenzoic acid.

Molecular Properties

Compound Name3,5-dibromo-2-methoxybenzoic acid
PubChem CID643392
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Name3,5-dibromo-2-methoxybenzoic acid
SMILESCOc1c(Br)cc(Br)cc1C(=O)O
InChIInChI=1S/C8H6Br2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChIKeyGDGFGZWIQSUSAX-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

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Related Compounds

3,5-dibromo-2-methoxybenzamide
CID 28665425
3,5-dibromo-2-methoxy-N,N-dimethylbenzamide
CID 50850191
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
3-bromo-2-methoxy-5-phenylbenzoic acid
CID 50882923
3,5-dibromo-2-propoxybenzoic acid
CID 8707159
3,5-dibromo-2-(trifluoromethoxy)benzoic acid
CID 154611943
3,5-dibromo-N-[4-[(3,5-dibromo-2-methoxybenzoyl)amino]phenyl]-2-methoxybenzamide
CID 5142163
4-(3,5-dibromo-2-methoxyphenyl)-4-oxobutanal
CID 14431137
3,5-dibromo-2-(2,2,2-trifluoroacetyl)oxybenzoic acid
CID 154611991
2-[3-[3,5-bis[(2,4-dibromo-6-carboxyphenoxy)carbonyl]phenyl]-5-(2,4-dibromo-6-carboxyphenoxy)carbonylbenzoyl]oxy-3,5-dibromobenzoic acid
CID 23252278
2-[(3,5-dibromo-2-methoxybenzoyl)carbamothioylamino]-3,5-diiodobenzoic acid
CID 5199092
2-methoxy-5-methylbenzene-1,3-dicarboxylic acid
CID 59710724

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-2-methoxybenzoic acid?
The IUPAC name of 3,5-dibromo-2-methoxybenzoic acid (CID 643392) is 3,5-dibromo-2-methoxybenzoic acid.
What is the SMILES notation for 3,5-dibromo-2-methoxybenzoic acid?
The canonical SMILES for 3,5-dibromo-2-methoxybenzoic acid is COc1c(Br)cc(Br)cc1C(=O)O.
What is the InChIKey of 3,5-dibromo-2-methoxybenzoic acid?
The InChIKey is GDGFGZWIQSUSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12).
What are the key properties of 3,5-dibromo-2-methoxybenzoic acid?
3,5-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 3,5-dibromo-2-methoxybenzoic acid is sourced from PubChem (CID 643392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).