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

C14H8BrCl2NO — CID 514909

IUPAC6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine
SMILESClc1ccc(C2C=Cc3cc(Br)cnc3O2)cc1Cl
InChIInChI=1S/C14H8BrCl2NO/c15-10-5-9-2-4-13(19-14(9)18-7-10)8-1-3-11(16)12(17)6-8/h1-7,13H
InChIKeyKUQJOQDSCMXOEJ-UHFFFAOYSA-N
MW357.03 g/mol
LogP5.30
Rot. Bonds1

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

6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine (PubChem CID 514909) has the molecular formula C14H8BrCl2NO and a molecular weight of 357.03 g/mol. Its IUPAC name is 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine
PubChem CID514909
Molecular FormulaC14H8BrCl2NO
Molecular Weight357.03 g/mol
Exact Mass354.92
IUPAC Name6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine
SMILESClc1ccc(C2C=Cc3cc(Br)cnc3O2)cc1Cl
InChIInChI=1S/C14H8BrCl2NO/c15-10-5-9-2-4-13(19-14(9)18-7-10)8-1-3-11(16)12(17)6-8/h1-7,13H
InChIKeyKUQJOQDSCMXOEJ-UHFFFAOYSA-N
XLogP5.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.03
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine (CID 514909) is 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine is Clc1ccc(C2C=Cc3cc(Br)cnc3O2)cc1Cl.
What is the InChIKey of 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine?
The InChIKey is KUQJOQDSCMXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2NO/c15-10-5-9-2-4-13(19-14(9)18-7-10)8-1-3-11(16)12(17)6-8/h1-7,13H.
What are the key properties of 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine?
6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine has a molecular weight of 357.03 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).