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

C14H11BrClNO — CID 514900

IUPAC6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESClc1ccc(C2CCc3cc(Br)cnc3O2)cc1
InChIInChI=1S/C14H11BrClNO/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
InChIKeyXSGYDKJCYGLHOL-UHFFFAOYSA-N
MW324.61 g/mol
LogP4.56
Rot. Bonds1

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

6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 514900) has the molecular formula C14H11BrClNO and a molecular weight of 324.61 g/mol. Its IUPAC name is 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID514900
Molecular FormulaC14H11BrClNO
Molecular Weight324.61 g/mol
Exact Mass322.97
IUPAC Name6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESClc1ccc(C2CCc3cc(Br)cnc3O2)cc1
InChIInChI=1S/C14H11BrClNO/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
InChIKeyXSGYDKJCYGLHOL-UHFFFAOYSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 514900) is 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is Clc1ccc(C2CCc3cc(Br)cnc3O2)cc1.
What is the InChIKey of 6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is XSGYDKJCYGLHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClNO/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-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
6-bromo-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 324.61 g/mol, XLogP of 4.56, 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-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).