N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide

C11H8BrFN4O2 — CID 123213449

IUPACN'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide
SMILESONC=Nc1ncc(Oc2cncc(F)c2)cc1Br
InChIInChI=1S/C11H8BrFN4O2/c12-10-2-9(5-15-11(10)16-6-17-18)19-8-1-7(13)3-14-4-8/h1-6,18H,(H,15,16,17)
InChIKeyAKNVGFLHBZYTCI-UHFFFAOYSA-N
MW327.11 g/mol
LogP2.81
Rot. Bonds4

About N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide

N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide (PubChem CID 123213449) has the molecular formula C11H8BrFN4O2 and a molecular weight of 327.11 g/mol. Its IUPAC name is N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide
PubChem CID123213449
Molecular FormulaC11H8BrFN4O2
Molecular Weight327.11 g/mol
Exact Mass325.98
IUPAC NameN'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide
SMILESONC=Nc1ncc(Oc2cncc(F)c2)cc1Br
InChIInChI=1S/C11H8BrFN4O2/c12-10-2-9(5-15-11(10)16-6-17-18)19-8-1-7(13)3-14-4-8/h1-6,18H,(H,15,16,17)
InChIKeyAKNVGFLHBZYTCI-UHFFFAOYSA-N
XLogP2.81
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.11
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide?
The IUPAC name of N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide (CID 123213449) is N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide.
What is the SMILES notation for N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide?
The canonical SMILES for N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide is ONC=Nc1ncc(Oc2cncc(F)c2)cc1Br.
What is the InChIKey of N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide?
The InChIKey is AKNVGFLHBZYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O2/c12-10-2-9(5-15-11(10)16-6-17-18)19-8-1-7(13)3-14-4-8/h1-6,18H,(H,15,16,17).
What are the key properties of N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide?
N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide has a molecular weight of 327.11 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-bromo-5-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-N-hydroxymethanimidamide is sourced from PubChem (CID 123213449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).