N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide

C14H16N2O3 — CID 21140947

IUPACN-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide
SMILES[O-][NH+](O)c1ccc(C=C2C=CN(CCO)C=C2)cc1
InChIInChI=1S/C14H16N2O3/c17-10-9-15-7-5-13(6-8-15)11-12-1-3-14(4-2-12)16(18)19/h1-8,11,16-18H,9-10H2
InChIKeySRZIFTCHKODPBV-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.81
Rot. Bonds4

About N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide

N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide (PubChem CID 21140947) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide
PubChem CID21140947
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide
SMILES[O-][NH+](O)c1ccc(C=C2C=CN(CCO)C=C2)cc1
InChIInChI=1S/C14H16N2O3/c17-10-9-15-7-5-13(6-8-15)11-12-1-3-14(4-2-12)16(18)19/h1-8,11,16-18H,9-10H2
InChIKeySRZIFTCHKODPBV-UHFFFAOYSA-N
XLogP0.81
TPSA71.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2E)-2-indol-3-ylideneethylidene]-1-pyridinyl]ethanol
CID 129348236
4-[bis[4-[hydroxy(oxido)azaniumyl]phenyl]methyl]-N-hydroxybenzeneamine oxide
CID 163181554
4-[[3-[bis(2-chloroethyl)aminomethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-N-hydroxybenzeneamine oxide
CID 163144340
4-[(E)-1-cyano-2-(4-phenylphenyl)ethenyl]-N-hydroxybenzeneamine oxide
CID 22301035
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one
CID 59696096
N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide
CID 163154944
N-hydroxy-4-(1,4,4-trimethyl-5-oxoimidazol-2-yl)benzeneamine oxide
CID 163176343
N-hydroxy-4-[(E)-[2-(4-methoxyphenyl)-4-oxo-3-[(2-phenylacetyl)amino]-1,3-thiazolidin-5-ylidene]methyl]benzeneamine oxide
CID 20832160
(5Z)-3-(2-hydroxyethyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27409386
(3E)-3-benzylidene-2-(2-hydroxyethyl)isoindol-1-one
CID 177425418
[2-(dimethylamino)-3-(2-hydroxyethyl)benzimidazol-5-yl]-dioxidoazanium
CID 163763133
4-(3-carboxyphenyl)sulfonyl-N-hydroxybenzeneamine oxide
CID 21141008

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide?
The IUPAC name of N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide (CID 21140947) is N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide is [O-][NH+](O)c1ccc(C=C2C=CN(CCO)C=C2)cc1.
What is the InChIKey of N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide?
The InChIKey is SRZIFTCHKODPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-10-9-15-7-5-13(6-8-15)11-12-1-3-14(4-2-12)16(18)19/h1-8,11,16-18H,9-10H2.
What are the key properties of N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide?
N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide has a molecular weight of 260.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[1-(2-hydroxyethyl)-4-pyridinylidene]methyl]benzeneamine oxide is sourced from PubChem (CID 21140947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).