(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide

C7H9IN2O — CID 171375297

IUPAC(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide
SMILESC[n+]1cccc(/C=N/[O-])c1.I
InChIInChI=1S/C7H8N2O.HI/c1-9-4-2-3-7(6-9)5-8-10;/h2-6H,1H3;1H/b8-5+;
InChIKeyLNXWOXYWDTUMPW-HAAWTFQLSA-N
MW264.07 g/mol
LogP1.05
Rot. Bonds1

About (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide

(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide (PubChem CID 171375297) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide.

Molecular Properties

Compound Name(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide
PubChem CID171375297
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide
SMILESC[n+]1cccc(/C=N/[O-])c1.I
InChIInChI=1S/C7H8N2O.HI/c1-9-4-2-3-7(6-9)5-8-10;/h2-6H,1H3;1H/b8-5+;
InChIKeyLNXWOXYWDTUMPW-HAAWTFQLSA-N
XLogP1.05
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-oxido-1-phenylmethanimine
CID 3712496
N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine
CID 71395385
copper (E)-N-oxido-1-phenylmethanimine
CID 146166650
N-[3-(1-methylpyridin-1-ium-3-yl)prop-2-enylidene]hydroxylamine iodide
CID 71395384
N,1-dimethylpyridin-1-ium-3-carboximidate;hydroiodide
CID 171376007
methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium
CID 162004220
(2Z)-2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one
CID 6444629
(E)-3-(1-methylpyridin-1-ium-3-yl)-N-phenylprop-2-enamide
CID 5476280
3-[(E)-2-(1-methylpyridin-1-ium-3-yl)ethenyl]-1H-indole iodide
CID 53349400
N,1-dimethylpyridin-1-ium-3-amine iodide
CID 44887181
dihydroxy-methyl-(1-methylpyridin-1-ium-3-yl)-λ4-sulfane
CID 169211106
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide?
The IUPAC name of (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide (CID 171375297) is (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide.
What is the SMILES notation for (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide?
The canonical SMILES for (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide is C[n+]1cccc(/C=N/[O-])c1.I.
What is the InChIKey of (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide?
The InChIKey is LNXWOXYWDTUMPW-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H8N2O.HI/c1-9-4-2-3-7(6-9)5-8-10;/h2-6H,1H3;1H/b8-5+;.
What are the key properties of (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide?
(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide has a molecular weight of 264.07 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide is sourced from PubChem (CID 171375297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).