N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine

C13H10ClFN2O — CID 73432879

IUPACN-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine
SMILESON=C(Cc1ccc(Cl)cn1)c1ccc(F)cc1
InChIInChI=1S/C13H10ClFN2O/c14-10-3-6-12(16-8-10)7-13(17-18)9-1-4-11(15)5-2-9/h1-6,8,18H,7H2
InChIKeyBBOCAQDGNPQHNH-UHFFFAOYSA-N
MW264.69 g/mol
LogP3.30
Rot. Bonds3

About N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine

N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine (PubChem CID 73432879) has the molecular formula C13H10ClFN2O and a molecular weight of 264.69 g/mol. Its IUPAC name is N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound NameN-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine
PubChem CID73432879
Molecular FormulaC13H10ClFN2O
Molecular Weight264.69 g/mol
Exact Mass264.05
IUPAC NameN-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine
SMILESON=C(Cc1ccc(Cl)cn1)c1ccc(F)cc1
InChIInChI=1S/C13H10ClFN2O/c14-10-3-6-12(16-8-10)7-13(17-18)9-1-4-11(15)5-2-9/h1-6,8,18H,7H2
InChIKeyBBOCAQDGNPQHNH-UHFFFAOYSA-N
XLogP3.30
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.69
LogP ≤ 53.30
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-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The IUPAC name of N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine (CID 73432879) is N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine.
What is the SMILES notation for N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The canonical SMILES for N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine is ON=C(Cc1ccc(Cl)cn1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine?
The InChIKey is BBOCAQDGNPQHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O/c14-10-3-6-12(16-8-10)7-13(17-18)9-1-4-11(15)5-2-9/h1-6,8,18H,7H2.
What are the key properties of N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine?
N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine has a molecular weight of 264.69 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-pyridinyl)-1-(4-fluorophenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 73432879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).