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

C14H11Cl2NO — CID 514904

IUPAC2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESClc1ccc(C2CCc3cccnc3O2)cc1Cl
InChIInChI=1S/C14H11Cl2NO/c15-11-5-3-10(8-12(11)16)13-6-4-9-2-1-7-17-14(9)18-13/h1-3,5,7-8,13H,4,6H2
InChIKeyZGZXPGYGYRATEU-UHFFFAOYSA-N
MW280.15 g/mol
LogP4.45
Rot. Bonds1

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

2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 514904) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID514904
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC Name2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESClc1ccc(C2CCc3cccnc3O2)cc1Cl
InChIInChI=1S/C14H11Cl2NO/c15-11-5-3-10(8-12(11)16)13-6-4-9-2-1-7-17-14(9)18-13/h1-3,5,7-8,13H,4,6H2
InChIKeyZGZXPGYGYRATEU-UHFFFAOYSA-N
XLogP4.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 514904) is 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is Clc1ccc(C2CCc3cccnc3O2)cc1Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is ZGZXPGYGYRATEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c15-11-5-3-10(8-12(11)16)13-6-4-9-2-1-7-17-14(9)18-13/h1-3,5,7-8,13H,4,6H2.
What are the key properties of 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 280.15 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).