O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine

C9H14N2O2 — CID 79426926

IUPACO-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine
SMILESCOc1c(C)cnc(CON)c1C
InChIInChI=1S/C9H14N2O2/c1-6-4-11-8(5-13-10)7(2)9(6)12-3/h4H,5,10H2,1-3H3
InChIKeyLAMUDNULUYKBGM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.10
Rot. Bonds3

About O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine

O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine (PubChem CID 79426926) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine
PubChem CID79426926
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameO-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine
SMILESCOc1c(C)cnc(CON)c1C
InChIInChI=1S/C9H14N2O2/c1-6-4-11-8(5-13-10)7(2)9(6)12-3/h4H,5,10H2,1-3H3
InChIKeyLAMUDNULUYKBGM-UHFFFAOYSA-N
XLogP1.10
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine (CID 79426926) is O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine is COc1c(C)cnc(CON)c1C.
What is the InChIKey of O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine?
The InChIKey is LAMUDNULUYKBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6-4-11-8(5-13-10)7(2)9(6)12-3/h4H,5,10H2,1-3H3.
What are the key properties of O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine?
O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine has a molecular weight of 182.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]hydroxylamine is sourced from PubChem (CID 79426926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).