2,3,5-triiodobenzohydrazide

C7H5I3N2O — CID 15515243

IUPAC2,3,5-triiodobenzohydrazide
SMILESNNC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C7H5I3N2O/c8-3-1-4(7(13)12-11)6(10)5(9)2-3/h1-2H,11H2,(H,12,13)
InChIKeyDPHIDWXLTTYHNP-UHFFFAOYSA-N
MW513.84 g/mol
LogP2.10
Rot. Bonds1

About 2,3,5-triiodobenzohydrazide

2,3,5-triiodobenzohydrazide (PubChem CID 15515243) has the molecular formula C7H5I3N2O and a molecular weight of 513.84 g/mol. Its IUPAC name is 2,3,5-triiodobenzohydrazide.

Molecular Properties

Compound Name2,3,5-triiodobenzohydrazide
PubChem CID15515243
Molecular FormulaC7H5I3N2O
Molecular Weight513.84 g/mol
Exact Mass513.75
IUPAC Name2,3,5-triiodobenzohydrazide
SMILESNNC(=O)c1cc(I)cc(I)c1I
InChIInChI=1S/C7H5I3N2O/c8-3-1-4(7(13)12-11)6(10)5(9)2-3/h1-2H,11H2,(H,12,13)
InChIKeyDPHIDWXLTTYHNP-UHFFFAOYSA-N
XLogP2.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.84
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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

2,3,5-triiodo-N-propylbenzamide
CID 54149296
2,4-diiodobenzohydrazide
CID 67233713
N-tert-butyl-2,3,5-triiodobenzamide
CID 60629696
2,3,5-triiodo-N-prop-2-enylbenzamide
CID 4551510
1-(2,3,5-triiodophenyl)ethanone
CID 66827286
(2S)-4-amino-4-oxo-2-[(2,3,5-triiodobenzoyl)amino]butanoic acid
CID 63714723
(2S)-3-hydroxy-2-[(2,3,5-triiodobenzoyl)amino]propanoic acid
CID 63404701
N-cyclopentyl-2,3,5-triiodobenzamide
CID 60631264
4-[(2,3,5-triiodobenzoyl)amino]benzoic acid
CID 63405162
N-[3-(hydroxymethyl)phenyl]-2,3,5-triiodobenzamide
CID 60629840
3-methyl-2-[[(2,3,5-triiodobenzoyl)amino]methyl]butanoic acid
CID 65220471
N-[(1-hydroxycycloheptyl)methyl]-2,3,5-triiodobenzamide
CID 65122999

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triiodobenzohydrazide?
The IUPAC name of 2,3,5-triiodobenzohydrazide (CID 15515243) is 2,3,5-triiodobenzohydrazide.
What is the SMILES notation for 2,3,5-triiodobenzohydrazide?
The canonical SMILES for 2,3,5-triiodobenzohydrazide is NNC(=O)c1cc(I)cc(I)c1I.
What is the InChIKey of 2,3,5-triiodobenzohydrazide?
The InChIKey is DPHIDWXLTTYHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5I3N2O/c8-3-1-4(7(13)12-11)6(10)5(9)2-3/h1-2H,11H2,(H,12,13).
What are the key properties of 2,3,5-triiodobenzohydrazide?
2,3,5-triiodobenzohydrazide has a molecular weight of 513.84 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triiodobenzohydrazide is sourced from PubChem (CID 15515243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).