(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile

C12H9N4O2- — CID 163153177

IUPAC(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile
SMILESN#C[C@H](c1ccccn1)c1ncccc1N([O-])O
InChIInChI=1S/C12H9N4O2/c13-8-9(10-4-1-2-6-14-10)12-11(16(17)18)5-3-7-15-12/h1-7,9,17H/q-1/t9-/m1/s1
InChIKeyNQQJJLQWBGSNQT-SECBINFHSA-N
MW241.23 g/mol
LogP1.83
Rot. Bonds3

About (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile

(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile (PubChem CID 163153177) has the molecular formula C12H9N4O2- and a molecular weight of 241.23 g/mol. Its IUPAC name is (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile
PubChem CID163153177
Molecular FormulaC12H9N4O2-
Molecular Weight241.23 g/mol
Exact Mass241.07
IUPAC Name(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile
SMILESN#C[C@H](c1ccccn1)c1ncccc1N([O-])O
InChIInChI=1S/C12H9N4O2/c13-8-9(10-4-1-2-6-14-10)12-11(16(17)18)5-3-7-15-12/h1-7,9,17H/q-1/t9-/m1/s1
InChIKeyNQQJJLQWBGSNQT-SECBINFHSA-N
XLogP1.83
TPSA96.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile?
The IUPAC name of (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile (CID 163153177) is (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile?
The canonical SMILES for (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile is N#C[C@H](c1ccccn1)c1ncccc1N([O-])O.
What is the InChIKey of (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile?
The InChIKey is NQQJJLQWBGSNQT-SECBINFHSA-N. The full InChI is InChI=1S/C12H9N4O2/c13-8-9(10-4-1-2-6-14-10)12-11(16(17)18)5-3-7-15-12/h1-7,9,17H/q-1/t9-/m1/s1.
What are the key properties of (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile?
(2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile has a molecular weight of 241.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[hydroxy(oxido)amino]-2-pyridinyl]-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 163153177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).