2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide

C15H14IN3O3 — CID 163135495

IUPAC2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide
SMILESCCOc1ccc(-c2cn3cc(I)ccc3n2)cc1[NH+]([O-])O
InChIInChI=1S/C15H14IN3O3/c1-2-22-14-5-3-10(7-13(14)19(20)21)12-9-18-8-11(16)4-6-15(18)17-12/h3-9,19-20H,2H2,1H3
InChIKeyHTYLLUNNUFDLMZ-UHFFFAOYSA-N
MW411.20 g/mol
LogP2.41
Rot. Bonds4

About 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide

2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide (PubChem CID 163135495) has the molecular formula C15H14IN3O3 and a molecular weight of 411.20 g/mol. Its IUPAC name is 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide.

Molecular Properties

Compound Name2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide
PubChem CID163135495
Molecular FormulaC15H14IN3O3
Molecular Weight411.20 g/mol
Exact Mass411.01
IUPAC Name2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide
SMILESCCOc1ccc(-c2cn3cc(I)ccc3n2)cc1[NH+]([O-])O
InChIInChI=1S/C15H14IN3O3/c1-2-22-14-5-3-10(7-13(14)19(20)21)12-9-18-8-11(16)4-6-15(18)17-12/h3-9,19-20H,2H2,1H3
InChIKeyHTYLLUNNUFDLMZ-UHFFFAOYSA-N
XLogP2.41
TPSA74.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.20
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(6-iodoimidazo[1,2-a]pyridin-2-yl)-2-methoxyphenol
CID 68719321
N-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 986158
2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine
CID 10571546
[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]hydrazine
CID 23106734
3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole
CID 16738345
4-ethoxy-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-methylbenzenesulfonamide
CID 122284141
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 9146653
2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 622689
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021351
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 82356943
[2-(4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 14155694
6-iodo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 169323354

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide?
The IUPAC name of 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide (CID 163135495) is 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide.
What is the SMILES notation for 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide?
The canonical SMILES for 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide is CCOc1ccc(-c2cn3cc(I)ccc3n2)cc1[NH+]([O-])O.
What is the InChIKey of 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide?
The InChIKey is HTYLLUNNUFDLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O3/c1-2-22-14-5-3-10(7-13(14)19(20)21)12-9-18-8-11(16)4-6-15(18)17-12/h3-9,19-20H,2H2,1H3.
What are the key properties of 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide?
2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide has a molecular weight of 411.20 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide is sourced from PubChem (CID 163135495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).