2,4-diiodobenzohydrazide

C7H6I2N2O — CID 67233713

IUPAC2,4-diiodobenzohydrazide
SMILESNNC(=O)c1ccc(I)cc1I
InChIInChI=1S/C7H6I2N2O/c8-4-1-2-5(6(9)3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKeyVWXVFEGGLFDLRO-UHFFFAOYSA-N
MW387.95 g/mol
LogP1.50
Rot. Bonds1

About 2,4-diiodobenzohydrazide

2,4-diiodobenzohydrazide (PubChem CID 67233713) has the molecular formula C7H6I2N2O and a molecular weight of 387.95 g/mol. Its IUPAC name is 2,4-diiodobenzohydrazide.

Molecular Properties

Compound Name2,4-diiodobenzohydrazide
PubChem CID67233713
Molecular FormulaC7H6I2N2O
Molecular Weight387.95 g/mol
Exact Mass387.86
IUPAC Name2,4-diiodobenzohydrazide
SMILESNNC(=O)c1ccc(I)cc1I
InChIInChI=1S/C7H6I2N2O/c8-4-1-2-5(6(9)3-4)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKeyVWXVFEGGLFDLRO-UHFFFAOYSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.95
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-iodobenzohydrazide
CID 3623021
2,3,5-triiodobenzohydrazide
CID 15515243
2-chloro-1-(2,4-diiodophenyl)propan-1-one
CID 131191419
2-iodo-N-(4-iodophenyl)-4-methylbenzamide
CID 100523539
2,5-diiodo-N-methylbenzamide
CID 131072416
bis[2-(aminomethyl)-4-iodophenyl]methanone
CID 150547440
2,5-dichlorobenzene-1,4-dicarbohydrazide
CID 124926031
2-[(3-iodophenoxy)methyl]benzohydrazide
CID 63576085
2-bromo-1-[4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 91882548
1-[4-iodo-2-(trifluoromethyl)phenyl]propan-1-one
CID 118849922
4-[(2,4,6-triiodophenoxy)methyl]benzohydrazide
CID 63574401
2-bromo-4-iodo-N-methylbenzamide
CID 155462102

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodobenzohydrazide?
The IUPAC name of 2,4-diiodobenzohydrazide (CID 67233713) is 2,4-diiodobenzohydrazide.
What is the SMILES notation for 2,4-diiodobenzohydrazide?
The canonical SMILES for 2,4-diiodobenzohydrazide is NNC(=O)c1ccc(I)cc1I.
What is the InChIKey of 2,4-diiodobenzohydrazide?
The InChIKey is VWXVFEGGLFDLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6I2N2O/c8-4-1-2-5(6(9)3-4)7(12)11-10/h1-3H,10H2,(H,11,12).
What are the key properties of 2,4-diiodobenzohydrazide?
2,4-diiodobenzohydrazide has a molecular weight of 387.95 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodobenzohydrazide is sourced from PubChem (CID 67233713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).