O-(1-pyridin-4-ylethyl)hydroxylamine

C7H10N2O — CID 102548796

IUPACO-(1-pyridin-4-ylethyl)hydroxylamine
SMILESCC(ON)c1ccncc1
InChIInChI=1S/C7H10N2O/c1-6(10-8)7-2-4-9-5-3-7/h2-6H,8H2,1H3
InChIKeyJYTPVEMEDRWBKE-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.03
Rot. Bonds2

About O-(1-pyridin-4-ylethyl)hydroxylamine

O-(1-pyridin-4-ylethyl)hydroxylamine (PubChem CID 102548796) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is O-(1-pyridin-4-ylethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1-pyridin-4-ylethyl)hydroxylamine
PubChem CID102548796
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC NameO-(1-pyridin-4-ylethyl)hydroxylamine
SMILESCC(ON)c1ccncc1
InChIInChI=1S/C7H10N2O/c1-6(10-8)7-2-4-9-5-3-7/h2-6H,8H2,1H3
InChIKeyJYTPVEMEDRWBKE-UHFFFAOYSA-N
XLogP1.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.03
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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Related Compounds

O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
[(1S)-1-pyridin-4-ylethyl] methanesulfonate
CID 163739842
1-pyridin-4-ylethyl N-methylmethanimidate
CID 143270127
(1R)-1-pyridin-4-ylethanethiol
CID 92977193
ethane;molecular hydrogen;(1S)-1-pyridin-4-ylethanamine
CID 142237918
ethyl 4-methyl-3-pyridin-4-ylhexanoate
CID 171748001
[2-(1-pyridin-4-ylethoxy)phenyl]methanamine
CID 82037250
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
trimethoxy(1-pyridin-4-ylethyl)silane
CID 66657112
5-(1-pyridin-4-ylethoxy)naphthalen-1-amine
CID 82037865
4-methyl-2-(1-pyridin-4-ylethoxy)pyridine
CID 126954932
4-pyridin-4-ylpentan-2-amine
CID 112714269

Frequently Asked Questions

What is the IUPAC name of O-(1-pyridin-4-ylethyl)hydroxylamine?
The IUPAC name of O-(1-pyridin-4-ylethyl)hydroxylamine (CID 102548796) is O-(1-pyridin-4-ylethyl)hydroxylamine.
What is the SMILES notation for O-(1-pyridin-4-ylethyl)hydroxylamine?
The canonical SMILES for O-(1-pyridin-4-ylethyl)hydroxylamine is CC(ON)c1ccncc1.
What is the InChIKey of O-(1-pyridin-4-ylethyl)hydroxylamine?
The InChIKey is JYTPVEMEDRWBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-6(10-8)7-2-4-9-5-3-7/h2-6H,8H2,1H3.
What are the key properties of O-(1-pyridin-4-ylethyl)hydroxylamine?
O-(1-pyridin-4-ylethyl)hydroxylamine has a molecular weight of 138.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-pyridin-4-ylethyl)hydroxylamine is sourced from PubChem (CID 102548796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).