6-(aminooxymethyl)pyridine-3-carbonitrile

C7H7N3O — CID 59479137

IUPAC6-(aminooxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(CON)nc1
InChIInChI=1S/C7H7N3O/c8-3-6-1-2-7(5-11-9)10-4-6/h1-2,4H,5,9H2
InChIKeyQWNXBIBSDFBGAV-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.34
Rot. Bonds2

About 6-(aminooxymethyl)pyridine-3-carbonitrile

6-(aminooxymethyl)pyridine-3-carbonitrile (PubChem CID 59479137) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 6-(aminooxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(aminooxymethyl)pyridine-3-carbonitrile
PubChem CID59479137
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name6-(aminooxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(CON)nc1
InChIInChI=1S/C7H7N3O/c8-3-6-1-2-7(5-11-9)10-4-6/h1-2,4H,5,9H2
InChIKeyQWNXBIBSDFBGAV-UHFFFAOYSA-N
XLogP0.34
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.34
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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Related Compounds

6-(propan-2-yloxymethyl)pyridine-3-carbonitrile
CID 58495606
6-(chloromethyl)pyridine-3-carbonitrile
CID 14980535
(5-cyano-2-pyridinyl)methyl 4-oxopentanoate
CID 166180049
6-[2-(dimethylamino)ethyl]pyridine-3-carbonitrile
CID 82411113
6-[(2-chloro-4-propan-2-ylphenoxy)methyl]pyridine-3-carbonitrile
CID 170746832
6-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridine-3-carbonitrile
CID 53392102
6-[(6-piperazin-1-ylpyrazin-2-yl)oxymethyl]pyridine-3-carbonitrile
CID 166591264
6-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyridine-3-carbonitrile
CID 155906031
6-methylpyridine-3-carbonitrile;propane
CID 142590874
4-(aminooxymethyl)-3-bromobenzonitrile
CID 130051911
4-(aminooxymethyl)-3-iodobenzonitrile
CID 58989999
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612

Frequently Asked Questions

What is the IUPAC name of 6-(aminooxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-(aminooxymethyl)pyridine-3-carbonitrile (CID 59479137) is 6-(aminooxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(aminooxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(aminooxymethyl)pyridine-3-carbonitrile is N#Cc1ccc(CON)nc1.
What is the InChIKey of 6-(aminooxymethyl)pyridine-3-carbonitrile?
The InChIKey is QWNXBIBSDFBGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-3-6-1-2-7(5-11-9)10-4-6/h1-2,4H,5,9H2.
What are the key properties of 6-(aminooxymethyl)pyridine-3-carbonitrile?
6-(aminooxymethyl)pyridine-3-carbonitrile has a molecular weight of 149.15 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminooxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 59479137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).