O-(2-pyridin-4-ylethyl)hydroxylamine

C7H10N2O — CID 45158552

IUPACO-(2-pyridin-4-ylethyl)hydroxylamine
SMILESNOCCc1ccncc1
InChIInChI=1S/C7H10N2O/c8-10-6-3-7-1-4-9-5-2-7/h1-2,4-5H,3,6,8H2
InChIKeyMGVSDLKVGFWEQE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.51
Rot. Bonds3

About O-(2-pyridin-4-ylethyl)hydroxylamine

O-(2-pyridin-4-ylethyl)hydroxylamine (PubChem CID 45158552) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is O-(2-pyridin-4-ylethyl)hydroxylamine.

Molecular Properties

Compound NameO-(2-pyridin-4-ylethyl)hydroxylamine
PubChem CID45158552
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameO-(2-pyridin-4-ylethyl)hydroxylamine
SMILESNOCCc1ccncc1
InChIInChI=1S/C7H10N2O/c8-10-6-3-7-1-4-9-5-2-7/h1-2,4-5H,3,6,8H2
InChIKeyMGVSDLKVGFWEQE-UHFFFAOYSA-N
XLogP0.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 O-(2-pyridin-4-ylethyl)hydroxylamine?
The IUPAC name of O-(2-pyridin-4-ylethyl)hydroxylamine (CID 45158552) is O-(2-pyridin-4-ylethyl)hydroxylamine.
What is the SMILES notation for O-(2-pyridin-4-ylethyl)hydroxylamine?
The canonical SMILES for O-(2-pyridin-4-ylethyl)hydroxylamine is NOCCc1ccncc1.
What is the InChIKey of O-(2-pyridin-4-ylethyl)hydroxylamine?
The InChIKey is MGVSDLKVGFWEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-10-6-3-7-1-4-9-5-2-7/h1-2,4-5H,3,6,8H2.
What are the key properties of O-(2-pyridin-4-ylethyl)hydroxylamine?
O-(2-pyridin-4-ylethyl)hydroxylamine has a molecular weight of 138.17 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-pyridin-4-ylethyl)hydroxylamine is sourced from PubChem (CID 45158552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).