2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide

C8H8N4O — CID 83874512

IUPAC2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide
SMILESN#Cc1cccc(C/C(N)=N/O)n1
InChIInChI=1S/C8H8N4O/c9-5-7-3-1-2-6(11-7)4-8(10)12-13/h1-3,13H,4H2,(H2,10,12)
InChIKeyZFLJIIJSDWOSLZ-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.24
Rot. Bonds2

About 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide

2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide (PubChem CID 83874512) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide
PubChem CID83874512
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide
SMILESN#Cc1cccc(C/C(N)=N/O)n1
InChIInChI=1S/C8H8N4O/c9-5-7-3-1-2-6(11-7)4-8(10)12-13/h1-3,13H,4H2,(H2,10,12)
InChIKeyZFLJIIJSDWOSLZ-UHFFFAOYSA-N
XLogP0.24
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide (CID 83874512) is 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide is N#Cc1cccc(C/C(N)=N/O)n1.
What is the InChIKey of 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide?
The InChIKey is ZFLJIIJSDWOSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-5-7-3-1-2-6(11-7)4-8(10)12-13/h1-3,13H,4H2,(H2,10,12).
What are the key properties of 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide?
2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide has a molecular weight of 176.18 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyano-2-pyridinyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 83874512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).