(NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

C12H11N3O2 — CID 135514797

IUPAC(NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)nc(-c2ccccn2)c1
InChIInChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3/b14-8+
InChIKeyJCTRJRHLGOKMCF-RIYZIHGNSA-N
MW229.24 g/mol
LogP1.96
Rot. Bonds3

About (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine

(NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 135514797) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
PubChem CID135514797
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name(NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cc(/C=N/O)nc(-c2ccccn2)c1
InChIInChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3/b14-8+
InChIKeyJCTRJRHLGOKMCF-RIYZIHGNSA-N
XLogP1.96
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine (CID 135514797) is (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine is COc1cc(/C=N/O)nc(-c2ccccn2)c1.
What is the InChIKey of (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is JCTRJRHLGOKMCF-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-17-10-6-9(8-14-16)15-12(7-10)11-4-2-3-5-13-11/h2-8,16H,1H3/b14-8+.
What are the key properties of (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine?
(NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 229.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-methoxy-6-pyridin-2-yl-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 135514797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).