(NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide

C8H11IN2O — CID 162470023

IUPAC(NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
SMILESCc1cccc(/C=N/O)[n+]1C.[I-]
InChIInChI=1S/C8H10N2O.HI/c1-7-4-3-5-8(6-9-11)10(7)2;/h3-6H,1-2H3;1H
InChIKeyRAWLTHGWAQSMJP-UHFFFAOYSA-N
MW278.09 g/mol
LogP-2.37
Rot. Bonds1

About (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide

(NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide (PubChem CID 162470023) has the molecular formula C8H11IN2O and a molecular weight of 278.09 g/mol. Its IUPAC name is (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide.

Molecular Properties

Compound Name(NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
PubChem CID162470023
Molecular FormulaC8H11IN2O
Molecular Weight278.09 g/mol
Exact Mass277.99
IUPAC Name(NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
SMILESCc1cccc(/C=N/O)[n+]1C.[I-]
InChIInChI=1S/C8H10N2O.HI/c1-7-4-3-5-8(6-9-11)10(7)2;/h3-6H,1-2H3;1H
InChIKeyRAWLTHGWAQSMJP-UHFFFAOYSA-N
XLogP-2.37
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 ≤ 5-2.37
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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Related Compounds

(NZ)-N-[(6-methoxy-1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine tetrafluoroborate
CID 172928277
(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine acetate
CID 135959466
(NE)-N-[(2-methyl-1,2-thiazol-2-ium-3-yl)methylidene]hydroxylamine
CID 135705603
hydrogen sulfate;(NE)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
CID 135959467
methyl hydrogen sulfate;(NZ)-N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine
CID 135573580
N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine;(1-methylpyridin-1-ium-2-yl)-phenylmethanone;diiodide
CID 173451289
(NE)-N-[(1,3-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine
CID 162648523
(NE)-N-[[1-methyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]methylidene]hydroxylamine
CID 146317491
(NZ)-N-[(1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
CID 135603327
(NE)-N-[[1-[[2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine
CID 135525269
N-[(1-methyl-4-propylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide
CID 3050870
N-[(5-methyl-1H-pyrrol-2-yl)methylidene]hydroxylamine
CID 137221296

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide?
The IUPAC name of (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide (CID 162470023) is (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide.
What is the SMILES notation for (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide?
The canonical SMILES for (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide is Cc1cccc(/C=N/O)[n+]1C.[I-].
What is the InChIKey of (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide?
The InChIKey is RAWLTHGWAQSMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O.HI/c1-7-4-3-5-8(6-9-11)10(7)2;/h3-6H,1-2H3;1H.
What are the key properties of (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide?
(NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide has a molecular weight of 278.09 g/mol, XLogP of -2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1,6-dimethylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide is sourced from PubChem (CID 162470023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).