N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide

C10H14IN3O — CID 58316723

IUPACN-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(=N/c1ccc(I)cn1)NO
InChIInChI=1S/C10H14IN3O/c1-10(2,3)9(14-15)13-8-5-4-7(11)6-12-8/h4-6,15H,1-3H3,(H,12,13,14)
InChIKeyDACACORZEPXDHG-UHFFFAOYSA-N
MW319.15 g/mol
LogP2.74
Rot. Bonds1

About N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide

N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide (PubChem CID 58316723) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide
PubChem CID58316723
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC NameN-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide
SMILESCC(C)(C)/C(=N/c1ccc(I)cn1)NO
InChIInChI=1S/C10H14IN3O/c1-10(2,3)9(14-15)13-8-5-4-7(11)6-12-8/h4-6,15H,1-3H3,(H,12,13,14)
InChIKeyDACACORZEPXDHG-UHFFFAOYSA-N
XLogP2.74
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 52.74
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide?
The IUPAC name of N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide (CID 58316723) is N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide.
What is the SMILES notation for N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide?
The canonical SMILES for N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide is CC(C)(C)/C(=N/c1ccc(I)cn1)NO.
What is the InChIKey of N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide?
The InChIKey is DACACORZEPXDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c1-10(2,3)9(14-15)13-8-5-4-7(11)6-12-8/h4-6,15H,1-3H3,(H,12,13,14).
What are the key properties of N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide?
N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide has a molecular weight of 319.15 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide is sourced from PubChem (CID 58316723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).