2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide

C12H10N4O2 — CID 163153176

IUPAC2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide
SMILESN#C[C@H](c1ccccn1)c1ncccc1[NH+]([O-])O
InChIInChI=1S/C12H10N4O2/c13-8-9(10-4-1-2-6-14-10)12-11(16(17)18)5-3-7-15-12/h1-7,9,16-17H/t9-/m1/s1
InChIKeyOCTBQKVQKQPQDV-SECBINFHSA-N
MW242.24 g/mol
LogP0.54
Rot. Bonds3

About 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide

2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide (PubChem CID 163153176) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide.

Molecular Properties

Compound Name2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide
PubChem CID163153176
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide
SMILESN#C[C@H](c1ccccn1)c1ncccc1[NH+]([O-])O
InChIInChI=1S/C12H10N4O2/c13-8-9(10-4-1-2-6-14-10)12-11(16(17)18)5-3-7-15-12/h1-7,9,16-17H/t9-/m1/s1
InChIKeyOCTBQKVQKQPQDV-SECBINFHSA-N
XLogP0.54
TPSA97.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide?
The IUPAC name of 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide (CID 163153176) is 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide.
What is the SMILES notation for 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide?
The canonical SMILES for 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide is N#C[C@H](c1ccccn1)c1ncccc1[NH+]([O-])O.
What is the InChIKey of 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide?
The InChIKey is OCTBQKVQKQPQDV-SECBINFHSA-N. The full InChI is InChI=1S/C12H10N4O2/c13-8-9(10-4-1-2-6-14-10)12-11(16(17)18)5-3-7-15-12/h1-7,9,16-17H/t9-/m1/s1.
What are the key properties of 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide?
2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide has a molecular weight of 242.24 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-cyano(pyridin-2-yl)methyl]-N-hydroxypyridin-3-amine oxide is sourced from PubChem (CID 163153176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).