(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine

C8H10N2O2 — CID 124501175

IUPAC(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCOc1ncc(/C=N\O)cc1C
InChIInChI=1S/C8H10N2O2/c1-6-3-7(5-10-11)4-9-8(6)12-2/h3-5,11H,1-2H3/b10-5-
InChIKeyJTSHBSBIHVAASR-YHYXMXQVSA-N
MW166.18 g/mol
LogP1.21
Rot. Bonds2

About (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine

(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine (PubChem CID 124501175) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
PubChem CID124501175
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine
SMILESCOc1ncc(/C=N\O)cc1C
InChIInChI=1S/C8H10N2O2/c1-6-3-7(5-10-11)4-9-8(6)12-2/h3-5,11H,1-2H3/b10-5-
InChIKeyJTSHBSBIHVAASR-YHYXMXQVSA-N
XLogP1.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine (CID 124501175) is (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine is COc1ncc(/C=N\O)cc1C.
What is the InChIKey of (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine?
The InChIKey is JTSHBSBIHVAASR-YHYXMXQVSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-6-3-7(5-10-11)4-9-8(6)12-2/h3-5,11H,1-2H3/b10-5-.
What are the key properties of (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine?
(NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine has a molecular weight of 166.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(6-methoxy-5-methyl-3-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 124501175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).