2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium

C12H10INO2 — CID 102392029

IUPAC2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium
SMILES[O-][n+]1ccc(OCc2ccccc2)cc1I
InChIInChI=1S/C12H10INO2/c13-12-8-11(6-7-14(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyVMSDFQKUWJJITM-UHFFFAOYSA-N
MW327.12 g/mol
LogP2.50
Rot. Bonds3

About 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium

2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium (PubChem CID 102392029) has the molecular formula C12H10INO2 and a molecular weight of 327.12 g/mol. Its IUPAC name is 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium.

Molecular Properties

Compound Name2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium
PubChem CID102392029
Molecular FormulaC12H10INO2
Molecular Weight327.12 g/mol
Exact Mass326.98
IUPAC Name2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium
SMILES[O-][n+]1ccc(OCc2ccccc2)cc1I
InChIInChI=1S/C12H10INO2/c13-12-8-11(6-7-14(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyVMSDFQKUWJJITM-UHFFFAOYSA-N
XLogP2.50
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
2-bromo-1-iodo-4-phenylmethoxybenzene
CID 134128585
1-fluoro-2-iodo-4-phenylmethoxybenzene
CID 18330888
2-iodo-5-phenylmethoxypyrimidine
CID 153056979
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
CID 57452903
CID 57452903
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
2-methyl-6-phenylmethoxyquinoline
CID 82580854
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
CID 57238609
CID 57238609

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium?
The IUPAC name of 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium (CID 102392029) is 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium.
What is the SMILES notation for 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium?
The canonical SMILES for 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium is [O-][n+]1ccc(OCc2ccccc2)cc1I.
What is the InChIKey of 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium?
The InChIKey is VMSDFQKUWJJITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO2/c13-12-8-11(6-7-14(12)15)16-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium?
2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium has a molecular weight of 327.12 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-oxido-4-phenylmethoxypyridin-1-ium is sourced from PubChem (CID 102392029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).