6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane

C10H15BrFNO2 — CID 177047075

IUPAC6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane
SMILESCC.COC.O=Cc1cnc(Br)c(F)c1
InChIInChI=1S/C6H3BrFNO.C2H6O.C2H6/c7-6-5(8)1-4(3-10)2-9-6;1-3-2;1-2/h1-3H;1-2H3;1-2H3
InChIKeyFXIICLIUBRQZQR-UHFFFAOYSA-N
MW280.14 g/mol
LogP3.08
Rot. Bonds1

About 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane

6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane (PubChem CID 177047075) has the molecular formula C10H15BrFNO2 and a molecular weight of 280.14 g/mol. Its IUPAC name is 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane.

Molecular Properties

Compound Name6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane
PubChem CID177047075
Molecular FormulaC10H15BrFNO2
Molecular Weight280.14 g/mol
Exact Mass279.03
IUPAC Name6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane
SMILESCC.COC.O=Cc1cnc(Br)c(F)c1
InChIInChI=1S/C6H3BrFNO.C2H6O.C2H6/c7-6-5(8)1-4(3-10)2-9-6;1-3-2;1-2/h1-3H;1-2H3;1-2H3
InChIKeyFXIICLIUBRQZQR-UHFFFAOYSA-N
XLogP3.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane?
The IUPAC name of 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane (CID 177047075) is 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane.
What is the SMILES notation for 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane?
The canonical SMILES for 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane is CC.COC.O=Cc1cnc(Br)c(F)c1.
What is the InChIKey of 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane?
The InChIKey is FXIICLIUBRQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrFNO.C2H6O.C2H6/c7-6-5(8)1-4(3-10)2-9-6;1-3-2;1-2/h1-3H;1-2H3;1-2H3.
What are the key properties of 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane?
6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane has a molecular weight of 280.14 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoropyridine-3-carbaldehyde;ethane;methoxymethane is sourced from PubChem (CID 177047075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).