2-[aminooxy(pyridin-3-yl)methyl]benzonitrile

C13H11N3O — CID 69032428

IUPAC2-[aminooxy(pyridin-3-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1C(ON)c1cccnc1
InChIInChI=1S/C13H11N3O/c14-8-10-4-1-2-6-12(10)13(17-15)11-5-3-7-16-9-11/h1-7,9,13H,15H2
InChIKeyHGNMZFYCMWGJTH-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds3

About 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile

2-[aminooxy(pyridin-3-yl)methyl]benzonitrile (PubChem CID 69032428) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[aminooxy(pyridin-3-yl)methyl]benzonitrile
PubChem CID69032428
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-[aminooxy(pyridin-3-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1C(ON)c1cccnc1
InChIInChI=1S/C13H11N3O/c14-8-10-4-1-2-6-12(10)13(17-15)11-5-3-7-16-9-11/h1-7,9,13H,15H2
InChIKeyHGNMZFYCMWGJTH-UHFFFAOYSA-N
XLogP1.93
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile?
The IUPAC name of 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile (CID 69032428) is 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile?
The canonical SMILES for 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile is N#Cc1ccccc1C(ON)c1cccnc1.
What is the InChIKey of 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile?
The InChIKey is HGNMZFYCMWGJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-10-4-1-2-6-12(10)13(17-15)11-5-3-7-16-9-11/h1-7,9,13H,15H2.
What are the key properties of 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile?
2-[aminooxy(pyridin-3-yl)methyl]benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[aminooxy(pyridin-3-yl)methyl]benzonitrile is sourced from PubChem (CID 69032428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).