6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C14H11BrFNO — CID 23321892

IUPAC6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESFc1ccc(C2CCc3cc(Br)cnc3O2)cc1
InChIInChI=1S/C14H11BrFNO/c15-11-7-10-3-6-13(18-14(10)17-8-11)9-1-4-12(16)5-2-9/h1-2,4-5,7-8,13H,3,6H2
InChIKeyOWSJDUUJDDSEFB-UHFFFAOYSA-N
MW308.15 g/mol
LogP4.05
Rot. Bonds1

About 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 23321892) has the molecular formula C14H11BrFNO and a molecular weight of 308.15 g/mol. Its IUPAC name is 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID23321892
Molecular FormulaC14H11BrFNO
Molecular Weight308.15 g/mol
Exact Mass307.00
IUPAC Name6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESFc1ccc(C2CCc3cc(Br)cnc3O2)cc1
InChIInChI=1S/C14H11BrFNO/c15-11-7-10-3-6-13(18-14(10)17-8-11)9-1-4-12(16)5-2-9/h1-2,4-5,7-8,13H,3,6H2
InChIKeyOWSJDUUJDDSEFB-UHFFFAOYSA-N
XLogP4.05
TPSA22.12 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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 23321892) is 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is Fc1ccc(C2CCc3cc(Br)cnc3O2)cc1.
What is the InChIKey of 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is OWSJDUUJDDSEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFNO/c15-11-7-10-3-6-13(18-14(10)17-8-11)9-1-4-12(16)5-2-9/h1-2,4-5,7-8,13H,3,6H2.
What are the key properties of 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 308.15 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 23321892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).