2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine

C11H14BrNO3 — CID 14199094

IUPAC2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine
SMILESCCOC1(OCC)c2cnccc2OC1Br
InChIInChI=1S/C11H14BrNO3/c1-3-14-11(15-4-2)8-7-13-6-5-9(8)16-10(11)12/h5-7,10H,3-4H2,1-2H3
InChIKeyFCWUASHOGSYGKG-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.42
Rot. Bonds4

About 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine

2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine (PubChem CID 14199094) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine
PubChem CID14199094
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine
SMILESCCOC1(OCC)c2cnccc2OC1Br
InChIInChI=1S/C11H14BrNO3/c1-3-14-11(15-4-2)8-7-13-6-5-9(8)16-10(11)12/h5-7,10H,3-4H2,1-2H3
InChIKeyFCWUASHOGSYGKG-UHFFFAOYSA-N
XLogP2.42
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine?
The IUPAC name of 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine (CID 14199094) is 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine.
What is the SMILES notation for 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine?
The canonical SMILES for 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine is CCOC1(OCC)c2cnccc2OC1Br.
What is the InChIKey of 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine?
The InChIKey is FCWUASHOGSYGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-3-14-11(15-4-2)8-7-13-6-5-9(8)16-10(11)12/h5-7,10H,3-4H2,1-2H3.
What are the key properties of 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine?
2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine has a molecular weight of 288.14 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,3-diethoxy-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 14199094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).