methyl 4-hydroxy-3,5-diiodobenzenecarboximidate

C8H7I2NO2 — CID 135967496

IUPACmethyl 4-hydroxy-3,5-diiodobenzenecarboximidate
SMILES[H]/N=C(\OC)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C8H7I2NO2/c1-13-8(11)4-2-5(9)7(12)6(10)3-4/h2-3,11-12H,1H3/b11-8-
InChIKeyLIDXHDBHELQYEZ-FLIBITNWSA-N
MW402.96 g/mol
LogP2.57
Rot. Bonds1

About methyl 4-hydroxy-3,5-diiodobenzenecarboximidate

methyl 4-hydroxy-3,5-diiodobenzenecarboximidate (PubChem CID 135967496) has the molecular formula C8H7I2NO2 and a molecular weight of 402.96 g/mol. Its IUPAC name is methyl 4-hydroxy-3,5-diiodobenzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3,5-diiodobenzenecarboximidate
PubChem CID135967496
Molecular FormulaC8H7I2NO2
Molecular Weight402.96 g/mol
Exact Mass402.86
IUPAC Namemethyl 4-hydroxy-3,5-diiodobenzenecarboximidate
SMILES[H]/N=C(\OC)c1cc(I)c(O)c(I)c1
InChIInChI=1S/C8H7I2NO2/c1-13-8(11)4-2-5(9)7(12)6(10)3-4/h2-3,11-12H,1H3/b11-8-
InChIKeyLIDXHDBHELQYEZ-FLIBITNWSA-N
XLogP2.57
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.96
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-bromo-5-chlorobenzenecarboximidate
CID 86222871
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219
methyl 4-ethylbenzenecarboximidate
CID 60984990
methyl 4-hydroxy-3-iodo-5-methoxybenzoate
CID 53426739
4-hydroxy-3,5-diiodobenzoic acid
CID 12065
methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate
CID 82305595
methyl 2-hydroxy-3,5-diiodobenzoate
CID 3695482
methyl 3-formyl-4-hydroxy-5-iodobenzoate
CID 86251227
methyl pyrimidine-2-carboximidate
CID 45080302
methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride
CID 171235485
methyl 3-ethoxy-4-hydroxy-5-iodobenzoate
CID 90422929
methyl 4-(2,5-dioxopyrrol-1-yl)benzenecarboximidate
CID 70612694

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3,5-diiodobenzenecarboximidate?
The IUPAC name of methyl 4-hydroxy-3,5-diiodobenzenecarboximidate (CID 135967496) is methyl 4-hydroxy-3,5-diiodobenzenecarboximidate.
What is the SMILES notation for methyl 4-hydroxy-3,5-diiodobenzenecarboximidate?
The canonical SMILES for methyl 4-hydroxy-3,5-diiodobenzenecarboximidate is [H]/N=C(\OC)c1cc(I)c(O)c(I)c1.
What is the InChIKey of methyl 4-hydroxy-3,5-diiodobenzenecarboximidate?
The InChIKey is LIDXHDBHELQYEZ-FLIBITNWSA-N. The full InChI is InChI=1S/C8H7I2NO2/c1-13-8(11)4-2-5(9)7(12)6(10)3-4/h2-3,11-12H,1H3/b11-8-.
What are the key properties of methyl 4-hydroxy-3,5-diiodobenzenecarboximidate?
methyl 4-hydroxy-3,5-diiodobenzenecarboximidate has a molecular weight of 402.96 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3,5-diiodobenzenecarboximidate is sourced from PubChem (CID 135967496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).