6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C14H12BrNO — CID 514898

IUPAC6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESBrc1cnc2c(c1)CCC(c1ccccc1)O2
InChIInChI=1S/C14H12BrNO/c15-12-8-11-6-7-13(17-14(11)16-9-12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2
InChIKeyQCSIYCMIYWCGDO-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.91
Rot. Bonds1

About 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 514898) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID514898
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESBrc1cnc2c(c1)CCC(c1ccccc1)O2
InChIInChI=1S/C14H12BrNO/c15-12-8-11-6-7-13(17-14(11)16-9-12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2
InChIKeyQCSIYCMIYWCGDO-UHFFFAOYSA-N
XLogP3.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 514898) is 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is Brc1cnc2c(c1)CCC(c1ccccc1)O2.
What is the InChIKey of 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is QCSIYCMIYWCGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-12-8-11-6-7-13(17-14(11)16-9-12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2.
What are the key properties of 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 290.16 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).