(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide

C8H11IN2O — CID 54606207

IUPAC(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide
SMILESC/C(=N/O)c1ccc[n+](C)c1.[I-]
InChIInChI=1S/C8H10N2O.HI/c1-7(9-11)8-4-3-5-10(2)6-8;/h3-6H,1-2H3;1H/b9-7-;
InChIKeyOCBHCYKPIJZMDT-VILQZVERSA-N
MW278.09 g/mol
LogP-2.29
Rot. Bonds1

About (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide

(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide (PubChem CID 54606207) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide.

Molecular Properties

Compound Name(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide
PubChem CID54606207
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide
SMILESC/C(=N/O)c1ccc[n+](C)c1.[I-]
InChIInChI=1S/C8H10N2O.HI/c1-7(9-11)8-4-3-5-10(2)6-8;/h3-6H,1-2H3;1H/b9-7-;
InChIKeyOCBHCYKPIJZMDT-VILQZVERSA-N
XLogP-2.29
TPSA36.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.09
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide?
The IUPAC name of (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide (CID 54606207) is (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide.
What is the SMILES notation for (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide?
The canonical SMILES for (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide is C/C(=N/O)c1ccc[n+](C)c1.[I-].
What is the InChIKey of (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide?
The InChIKey is OCBHCYKPIJZMDT-VILQZVERSA-N. The full InChI is InChI=1S/C8H10N2O.HI/c1-7(9-11)8-4-3-5-10(2)6-8;/h3-6H,1-2H3;1H/b9-7-;.
What are the key properties of (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide?
(NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide has a molecular weight of 278.09 g/mol, XLogP of -2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(1-methylpyridin-1-ium-3-yl)ethylidene]hydroxylamine iodide is sourced from PubChem (CID 54606207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).