2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile

C15H8ClN3O — CID 64602527

IUPAC2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1Oc1cncc(Cl)c1
InChIInChI=1S/C15H8ClN3O/c16-12-6-13(9-18-8-12)20-15-11(7-17)5-10-3-1-2-4-14(10)19-15/h1-6,8-9H
InChIKeyJJJPDYDWEZIRGK-UHFFFAOYSA-N
MW281.70 g/mol
LogP3.95
Rot. Bonds2

About 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile

2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile (PubChem CID 64602527) has the molecular formula C15H8ClN3O and a molecular weight of 281.70 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile
PubChem CID64602527
Molecular FormulaC15H8ClN3O
Molecular Weight281.70 g/mol
Exact Mass281.04
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile
SMILESN#Cc1cc2ccccc2nc1Oc1cncc(Cl)c1
InChIInChI=1S/C15H8ClN3O/c16-12-6-13(9-18-8-12)20-15-11(7-17)5-10-3-1-2-4-14(10)19-15/h1-6,8-9H
InChIKeyJJJPDYDWEZIRGK-UHFFFAOYSA-N
XLogP3.95
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.70
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile (CID 64602527) is 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile is N#Cc1cc2ccccc2nc1Oc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile?
The InChIKey is JJJPDYDWEZIRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClN3O/c16-12-6-13(9-18-8-12)20-15-11(7-17)5-10-3-1-2-4-14(10)19-15/h1-6,8-9H.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile?
2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile has a molecular weight of 281.70 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]quinoline-3-carbonitrile is sourced from PubChem (CID 64602527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).