(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine

C15H11ClN4O2 — CID 56677222

IUPAC(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Oc2ccc(Cl)cc2)nc1)n1ccnc1
InChIInChI=1S/C15H11ClN4O2/c16-12-2-4-13(5-3-12)22-14-6-1-11(9-18-14)15(19-21)20-8-7-17-10-20/h1-10,21H/b19-15-
InChIKeyXVDQPJIFZKWLCA-CYVLTUHYSA-N
MW314.73 g/mol
LogP3.41
Rot. Bonds3

About (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine

(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine (PubChem CID 56677222) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
PubChem CID56677222
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
SMILESO/N=C(/c1ccc(Oc2ccc(Cl)cc2)nc1)n1ccnc1
InChIInChI=1S/C15H11ClN4O2/c16-12-2-4-13(5-3-12)22-14-6-1-11(9-18-14)15(19-21)20-8-7-17-10-20/h1-10,21H/b19-15-
InChIKeyXVDQPJIFZKWLCA-CYVLTUHYSA-N
XLogP3.41
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine (CID 56677222) is (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine is O/N=C(/c1ccc(Oc2ccc(Cl)cc2)nc1)n1ccnc1.
What is the InChIKey of (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine?
The InChIKey is XVDQPJIFZKWLCA-CYVLTUHYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c16-12-2-4-13(5-3-12)22-14-6-1-11(9-18-14)15(19-21)20-8-7-17-10-20/h1-10,21H/b19-15-.
What are the key properties of (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine?
(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine has a molecular weight of 314.73 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine is sourced from PubChem (CID 56677222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).