methyl 2-hydroxy-3,5-diiodobenzoate

C8H6I2O3 — CID 3695482

IUPACmethyl 2-hydroxy-3,5-diiodobenzoate
SMILESCOC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C8H6I2O3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3
InChIKeyGNPLRLCRSBLCKZ-UHFFFAOYSA-N
MW403.94 g/mol
LogP2.39
Rot. Bonds1

About methyl 2-hydroxy-3,5-diiodobenzoate

methyl 2-hydroxy-3,5-diiodobenzoate (PubChem CID 3695482) has the molecular formula C8H6I2O3 and a molecular weight of 403.94 g/mol. Its IUPAC name is methyl 2-hydroxy-3,5-diiodobenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3,5-diiodobenzoate
PubChem CID3695482
Molecular FormulaC8H6I2O3
Molecular Weight403.94 g/mol
Exact Mass403.84
IUPAC Namemethyl 2-hydroxy-3,5-diiodobenzoate
SMILESCOC(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C8H6I2O3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3
InChIKeyGNPLRLCRSBLCKZ-UHFFFAOYSA-N
XLogP2.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-bromo-2-hydroxy-3-iodobenzoate
CID 3613951
2-hydroxy-3,5-diiodo-N-methoxybenzamide
CID 60717158
potassium 2-hydroxy-3,5-diiodobenzoate
CID 23716296
N-ethoxy-2-hydroxy-3,5-diiodobenzamide
CID 60717182
copper 2,4,6-triiodophenol
CID 54602337
methyl 2-amino-5-iodo-3-methylbenzoate
CID 121230653
methyl 3-amino-5-iodo-2-methylbenzoate
CID 131332770
4-(2,4-diiodo-6-methoxycarbonylphenoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate
CID 164746899
2-hydroxy-3,5-diiodo-N-(2-methylprop-2-enyl)benzamide
CID 114619036
4-[(2-hydroxy-3,5-diiodobenzoyl)amino]-3-methoxybutanoic acid
CID 103153358
dimethyl 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxylate
CID 170871811
2-hydroxy-N,N-bis(2-hydroxyethyl)-3,5-diiodobenzamide
CID 61233992

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3,5-diiodobenzoate?
The IUPAC name of methyl 2-hydroxy-3,5-diiodobenzoate (CID 3695482) is methyl 2-hydroxy-3,5-diiodobenzoate.
What is the SMILES notation for methyl 2-hydroxy-3,5-diiodobenzoate?
The canonical SMILES for methyl 2-hydroxy-3,5-diiodobenzoate is COC(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of methyl 2-hydroxy-3,5-diiodobenzoate?
The InChIKey is GNPLRLCRSBLCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6I2O3/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,11H,1H3.
What are the key properties of methyl 2-hydroxy-3,5-diiodobenzoate?
methyl 2-hydroxy-3,5-diiodobenzoate has a molecular weight of 403.94 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3,5-diiodobenzoate is sourced from PubChem (CID 3695482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).