magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide

C14H15Br3F2MgN2O2 — CID 161039527

IUPACmagnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide
SMILESBr.CC(O)c1cc(F)ncc1Br.O=Cc1cc(F)ncc1Br.[CH3-].[H-].[Mg+2]
InChIInChI=1S/C7H7BrFNO.C6H3BrFNO.CH3.BrH.Mg.H/c1-4(11)5-2-7(9)10-3-6(5)8;7-5-2-9-6(8)1-4(5)3-10;;;;/h2-4,11H,1H3;1-3H;1H3;1H;;/q;;-1;;+2;-1
InChIKeyBIYFXLMZXNQFGM-UHFFFAOYSA-N
MW545.30 g/mol
LogP4.59
Rot. Bonds2

About magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide

magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide (PubChem CID 161039527) has the molecular formula C14H15Br3F2MgN2O2 and a molecular weight of 545.30 g/mol. Its IUPAC name is magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide.

Molecular Properties

Compound Namemagnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide
PubChem CID161039527
Molecular FormulaC14H15Br3F2MgN2O2
Molecular Weight545.30 g/mol
Exact Mass541.85
IUPAC Namemagnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide
SMILESBr.CC(O)c1cc(F)ncc1Br.O=Cc1cc(F)ncc1Br.[CH3-].[H-].[Mg+2]
InChIInChI=1S/C7H7BrFNO.C6H3BrFNO.CH3.BrH.Mg.H/c1-4(11)5-2-7(9)10-3-6(5)8;7-5-2-9-6(8)1-4(5)3-10;;;;/h2-4,11H,1H3;1-3H;1H3;1H;;/q;;-1;;+2;-1
InChIKeyBIYFXLMZXNQFGM-UHFFFAOYSA-N
XLogP4.59
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide?
The IUPAC name of magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide (CID 161039527) is magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide.
What is the SMILES notation for magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide?
The canonical SMILES for magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide is Br.CC(O)c1cc(F)ncc1Br.O=Cc1cc(F)ncc1Br.[CH3-].[H-].[Mg+2].
What is the InChIKey of magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide?
The InChIKey is BIYFXLMZXNQFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO.C6H3BrFNO.CH3.BrH.Mg.H/c1-4(11)5-2-7(9)10-3-6(5)8;7-5-2-9-6(8)1-4(5)3-10;;;;/h2-4,11H,1H3;1-3H;1H3;1H;;/q;;-1;;+2;-1.
What are the key properties of magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide?
magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide has a molecular weight of 545.30 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-bromo-2-fluoropyridine-4-carbaldehyde;1-(5-bromo-2-fluoro-4-pyridinyl)ethanol;carbanide;hydride;hydrobromide is sourced from PubChem (CID 161039527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).