N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine

C13H12N2O2 — CID 152774257

IUPACN-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)nc(-c2ccccc2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-7-11(9-14-16)15-13(8-12)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyPXFUULIZLQXHKZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.57
Rot. Bonds3

About N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine

N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine (PubChem CID 152774257) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine
PubChem CID152774257
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC NameN-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine
SMILESCOc1cc(C=NO)nc(-c2ccccc2)c1
InChIInChI=1S/C13H12N2O2/c1-17-12-7-11(9-14-16)15-13(8-12)10-5-3-2-4-6-10/h2-9,16H,1H3
InChIKeyPXFUULIZLQXHKZ-UHFFFAOYSA-N
XLogP2.57
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.57
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 N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine (CID 152774257) is N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine is COc1cc(C=NO)nc(-c2ccccc2)c1.
What is the InChIKey of N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine?
The InChIKey is PXFUULIZLQXHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-17-12-7-11(9-14-16)15-13(8-12)10-5-3-2-4-6-10/h2-9,16H,1H3.
What are the key properties of N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine?
N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine has a molecular weight of 228.25 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-6-phenyl-2-pyridinyl)methylidene]hydroxylamine is sourced from PubChem (CID 152774257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).