N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine

C13H10BrClN2O — CID 87323637

IUPACN-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine
SMILESON=C(Cc1cc(Br)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10BrClN2O/c14-10-5-6-16-12(7-10)8-13(17-18)9-1-3-11(15)4-2-9/h1-7,18H,8H2
InChIKeyYVROHFXCFIJVCF-UHFFFAOYSA-N
MW325.59 g/mol
LogP3.92
Rot. Bonds3

About N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine

N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine (PubChem CID 87323637) has the molecular formula C13H10BrClN2O and a molecular weight of 325.59 g/mol. Its IUPAC name is N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine
PubChem CID87323637
Molecular FormulaC13H10BrClN2O
Molecular Weight325.59 g/mol
Exact Mass323.97
IUPAC NameN-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine
SMILESON=C(Cc1cc(Br)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H10BrClN2O/c14-10-5-6-16-12(7-10)8-13(17-18)9-1-3-11(15)4-2-9/h1-7,18H,8H2
InChIKeyYVROHFXCFIJVCF-UHFFFAOYSA-N
XLogP3.92
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 53.92
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 N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine (CID 87323637) is N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine is ON=C(Cc1cc(Br)ccn1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine?
The InChIKey is YVROHFXCFIJVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O/c14-10-5-6-16-12(7-10)8-13(17-18)9-1-3-11(15)4-2-9/h1-7,18H,8H2.
What are the key properties of N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine?
N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine has a molecular weight of 325.59 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-2-pyridinyl)-1-(4-chlorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 87323637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).