N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine

C11H9N3O — CID 137097951

IUPACN-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine
SMILESON=C(c1ccncc1)c1cccnc1
InChIInChI=1S/C11H9N3O/c15-14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10/h1-8,15H
InChIKeyXXWTXZNEPXKPKX-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.70
Rot. Bonds2

About N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine

N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine (PubChem CID 137097951) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine
PubChem CID137097951
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC NameN-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine
SMILESON=C(c1ccncc1)c1cccnc1
InChIInChI=1S/C11H9N3O/c15-14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10/h1-8,15H
InChIKeyXXWTXZNEPXKPKX-UHFFFAOYSA-N
XLogP1.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[pyridin-2-yl(pyridin-3-yl)methylidene]hydroxylamine
CID 137225687
(Z)-N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 15144858
N-methoxy-1-phenyl-1-pyridin-3-ylmethanimine
CID 23724221
(NE)-N-[pyridin-2-yl(pyridin-4-yl)methylidene]hydroxylamine
CID 137180821
(2Z)-2-hydroxyimino-2-pyridin-3-ylacetonitrile
CID 15180171
2-(hydroxymethyl)-4-[(Z)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]-N-methylbenzeneamine oxide
CID 172986202
N-(dipyridin-4-ylmethylideneamino)-1,1-dipyridin-4-ylmethanimine
CID 15883973
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
N-[[2-[(4-methylphenyl)methyl]phenyl]-pyridin-3-ylmethylidene]hydroxylamine
CID 88606165
4-chloro-N-[2-[4-[(E)-N-hydroxy-C-pyridin-3-ylcarbonimidoyl]phenyl]ethyl]benzenesulfonamide
CID 10364563
N,N-diethyl-N'-hydroxypyridine-3-carboximidamide
CID 57189340
3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
CID 139178157

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine (CID 137097951) is N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine is ON=C(c1ccncc1)c1cccnc1.
What is the InChIKey of N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine?
The InChIKey is XXWTXZNEPXKPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c15-14-11(9-3-6-12-7-4-9)10-2-1-5-13-8-10/h1-8,15H.
What are the key properties of N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine?
N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine has a molecular weight of 199.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-3-yl(pyridin-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 137097951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).