N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine

C8H12N2O2 — CID 140970689

IUPACN-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine
SMILESCCOc1c(NO)ccnc1C
InChIInChI=1S/C8H12N2O2/c1-3-12-8-6(2)9-5-4-7(8)10-11/h4-5,11H,3H2,1-2H3,(H,9,10)
InChIKeyWQTNVAGEHATSSL-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.59
Rot. Bonds3

About N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine

N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine (PubChem CID 140970689) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine.

Molecular Properties

Compound NameN-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine
PubChem CID140970689
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine
SMILESCCOc1c(NO)ccnc1C
InChIInChI=1S/C8H12N2O2/c1-3-12-8-6(2)9-5-4-7(8)10-11/h4-5,11H,3H2,1-2H3,(H,9,10)
InChIKeyWQTNVAGEHATSSL-UHFFFAOYSA-N
XLogP1.59
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.59
H-Bond Donors ≤ 52
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 N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine?
The IUPAC name of N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine (CID 140970689) is N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine.
What is the SMILES notation for N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine?
The canonical SMILES for N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine is CCOc1c(NO)ccnc1C.
What is the InChIKey of N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine?
The InChIKey is WQTNVAGEHATSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-8-6(2)9-5-4-7(8)10-11/h4-5,11H,3H2,1-2H3,(H,9,10).
What are the key properties of N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine?
N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine has a molecular weight of 168.20 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-methyl-4-pyridinyl)hydroxylamine is sourced from PubChem (CID 140970689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).