3-(2,6-dichloro-4-pyridinyl)quinoline

C14H8Cl2N2 — CID 86078303

IUPAC3-(2,6-dichloro-4-pyridinyl)quinoline
SMILESClc1cc(-c2cnc3ccccc3c2)cc(Cl)n1
InChIInChI=1S/C14H8Cl2N2/c15-13-6-10(7-14(16)18-13)11-5-9-3-1-2-4-12(9)17-8-11/h1-8H
InChIKeyOSGSVGALUWALKP-UHFFFAOYSA-N
MW275.14 g/mol
LogP4.60
Rot. Bonds1

About 3-(2,6-dichloro-4-pyridinyl)quinoline

3-(2,6-dichloro-4-pyridinyl)quinoline (PubChem CID 86078303) has the molecular formula C14H8Cl2N2 and a molecular weight of 275.14 g/mol. Its IUPAC name is 3-(2,6-dichloro-4-pyridinyl)quinoline.

Molecular Properties

Compound Name3-(2,6-dichloro-4-pyridinyl)quinoline
PubChem CID86078303
Molecular FormulaC14H8Cl2N2
Molecular Weight275.14 g/mol
Exact Mass274.01
IUPAC Name3-(2,6-dichloro-4-pyridinyl)quinoline
SMILESClc1cc(-c2cnc3ccccc3c2)cc(Cl)n1
InChIInChI=1S/C14H8Cl2N2/c15-13-6-10(7-14(16)18-13)11-5-9-3-1-2-4-12(9)17-8-11/h1-8H
InChIKeyOSGSVGALUWALKP-UHFFFAOYSA-N
XLogP4.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichloro-4-pyridinyl)quinoline?
The IUPAC name of 3-(2,6-dichloro-4-pyridinyl)quinoline (CID 86078303) is 3-(2,6-dichloro-4-pyridinyl)quinoline.
What is the SMILES notation for 3-(2,6-dichloro-4-pyridinyl)quinoline?
The canonical SMILES for 3-(2,6-dichloro-4-pyridinyl)quinoline is Clc1cc(-c2cnc3ccccc3c2)cc(Cl)n1.
What is the InChIKey of 3-(2,6-dichloro-4-pyridinyl)quinoline?
The InChIKey is OSGSVGALUWALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2/c15-13-6-10(7-14(16)18-13)11-5-9-3-1-2-4-12(9)17-8-11/h1-8H.
What are the key properties of 3-(2,6-dichloro-4-pyridinyl)quinoline?
3-(2,6-dichloro-4-pyridinyl)quinoline has a molecular weight of 275.14 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichloro-4-pyridinyl)quinoline is sourced from PubChem (CID 86078303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).