N-hydroxy-N'-pyridin-4-ylethanimidamide

C7H9N3O — CID 54168980

IUPACN-hydroxy-N'-pyridin-4-ylethanimidamide
SMILESC/C(=N\c1ccncc1)NO
InChIInChI=1S/C7H9N3O/c1-6(10-11)9-7-2-4-8-5-3-7/h2-5,11H,1H3,(H,8,9,10)
InChIKeyOTRGZWVVSJZRDO-UHFFFAOYSA-N
MW151.17 g/mol
LogP1.11
Rot. Bonds1

About N-hydroxy-N'-pyridin-4-ylethanimidamide

N-hydroxy-N'-pyridin-4-ylethanimidamide (PubChem CID 54168980) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is N-hydroxy-N'-pyridin-4-ylethanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-pyridin-4-ylethanimidamide
PubChem CID54168980
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC NameN-hydroxy-N'-pyridin-4-ylethanimidamide
SMILESC/C(=N\c1ccncc1)NO
InChIInChI=1S/C7H9N3O/c1-6(10-11)9-7-2-4-8-5-3-7/h2-5,11H,1H3,(H,8,9,10)
InChIKeyOTRGZWVVSJZRDO-UHFFFAOYSA-N
XLogP1.11
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-hydroxy-N'-pyridin-4-ylethanimidamide?
The IUPAC name of N-hydroxy-N'-pyridin-4-ylethanimidamide (CID 54168980) is N-hydroxy-N'-pyridin-4-ylethanimidamide.
What is the SMILES notation for N-hydroxy-N'-pyridin-4-ylethanimidamide?
The canonical SMILES for N-hydroxy-N'-pyridin-4-ylethanimidamide is C/C(=N\c1ccncc1)NO.
What is the InChIKey of N-hydroxy-N'-pyridin-4-ylethanimidamide?
The InChIKey is OTRGZWVVSJZRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-6(10-11)9-7-2-4-8-5-3-7/h2-5,11H,1H3,(H,8,9,10).
What are the key properties of N-hydroxy-N'-pyridin-4-ylethanimidamide?
N-hydroxy-N'-pyridin-4-ylethanimidamide has a molecular weight of 151.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-pyridin-4-ylethanimidamide is sourced from PubChem (CID 54168980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).