(NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine

C12H10N2O — CID 135408615

IUPAC(NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H/b14-12+
InChIKeyRSJDEVMJZLLAHS-WYMLVPIESA-N
MW198.22 g/mol
LogP2.31
Rot. Bonds2

About (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine

(NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine (PubChem CID 135408615) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
PubChem CID135408615
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name(NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1ccccn1
InChIInChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H/b14-12+
InChIKeyRSJDEVMJZLLAHS-WYMLVPIESA-N
XLogP2.31
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[phenyl(pyridin-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine (CID 135408615) is (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine is O/N=C(\c1ccccc1)c1ccccn1.
What is the InChIKey of (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine?
The InChIKey is RSJDEVMJZLLAHS-WYMLVPIESA-N. The full InChI is InChI=1S/C12H10N2O/c15-14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h1-9,15H/b14-12+.
What are the key properties of (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine?
(NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine has a molecular weight of 198.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135408615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).