5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine

C14H11BrFNO — CID 67217633

IUPAC5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine
SMILESCN1C(Br)=CC=C2OC(c3ccc(F)cc3)C=C21
InChIInChI=1S/C14H11BrFNO/c1-17-11-8-13(9-2-4-10(16)5-3-9)18-12(11)6-7-14(17)15/h2-8,13H,1H3
InChIKeyUGUXODSVGSLZQY-UHFFFAOYSA-N
MW308.15 g/mol
LogP3.85
Rot. Bonds1

About 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine

5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine (PubChem CID 67217633) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine
PubChem CID67217633
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine
SMILESCN1C(Br)=CC=C2OC(c3ccc(F)cc3)C=C21
InChIInChI=1S/C14H11BrFNO/c1-17-11-8-13(9-2-4-10(16)5-3-9)18-12(11)6-7-14(17)15/h2-8,13H,1H3
InChIKeyUGUXODSVGSLZQY-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine?
The IUPAC name of 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine (CID 67217633) is 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine.
What is the SMILES notation for 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine?
The canonical SMILES for 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine is CN1C(Br)=CC=C2OC(c3ccc(F)cc3)C=C21.
What is the InChIKey of 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine?
The InChIKey is UGUXODSVGSLZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c1-17-11-8-13(9-2-4-10(16)5-3-9)18-12(11)6-7-14(17)15/h2-8,13H,1H3.
What are the key properties of 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine?
5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine has a molecular weight of 308.15 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluorophenyl)-4-methyl-2H-furo[3,2-b]pyridine is sourced from PubChem (CID 67217633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).