N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide

C7H7IN2O2 — CID 58054003

IUPACN-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide
SMILESCC(=O)/N=c1\ccc(I)cn1O
InChIInChI=1S/C7H7IN2O2/c1-5(11)9-7-3-2-6(8)4-10(7)12/h2-4,12H,1H3/b9-7+
InChIKeyKOIPFIOSOYYAEN-VQHVLOKHSA-N
MW278.05 g/mol
LogP0.78
Rot. Bonds

About N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide

N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide (PubChem CID 58054003) has the molecular formula C7H7IN2O2 and a molecular weight of 278.05 g/mol. Its IUPAC name is N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide
PubChem CID58054003
Molecular FormulaC7H7IN2O2
Molecular Weight278.05 g/mol
Exact Mass277.96
IUPAC NameN-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide
SMILESCC(=O)/N=c1\ccc(I)cn1O
InChIInChI=1S/C7H7IN2O2/c1-5(11)9-7-3-2-6(8)4-10(7)12/h2-4,12H,1H3/b9-7+
InChIKeyKOIPFIOSOYYAEN-VQHVLOKHSA-N
XLogP0.78
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide?
The IUPAC name of N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide (CID 58054003) is N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide.
What is the SMILES notation for N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide?
The canonical SMILES for N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide is CC(=O)/N=c1\ccc(I)cn1O.
What is the InChIKey of N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide?
The InChIKey is KOIPFIOSOYYAEN-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H7IN2O2/c1-5(11)9-7-3-2-6(8)4-10(7)12/h2-4,12H,1H3/b9-7+.
What are the key properties of N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide?
N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide has a molecular weight of 278.05 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-5-iodo-2-pyridinylidene)acetamide is sourced from PubChem (CID 58054003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).