8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline

C14H7Cl3N2O — CID 102749564

IUPAC8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
SMILESClc1cc(Cl)c(Oc2cccc3cccnc23)nc1Cl
InChIInChI=1S/C14H7Cl3N2O/c15-9-7-10(16)14(19-13(9)17)20-11-5-1-3-8-4-2-6-18-12(8)11/h1-7H
InChIKeyPLYRRDWKAVEASG-UHFFFAOYSA-N
MW325.58 g/mol
LogP5.38
Rot. Bonds2

About 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline

8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline (PubChem CID 102749564) has the molecular formula C14H7Cl3N2O and a molecular weight of 325.58 g/mol. Its IUPAC name is 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline.

Molecular Properties

Compound Name8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
PubChem CID102749564
Molecular FormulaC14H7Cl3N2O
Molecular Weight325.58 g/mol
Exact Mass323.96
IUPAC Name8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline
SMILESClc1cc(Cl)c(Oc2cccc3cccnc23)nc1Cl
InChIInChI=1S/C14H7Cl3N2O/c15-9-7-10(16)14(19-13(9)17)20-11-5-1-3-8-4-2-6-18-12(8)11/h1-7H
InChIKeyPLYRRDWKAVEASG-UHFFFAOYSA-N
XLogP5.38
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline with MolForge

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

Launch Full Analysis

Related Compounds

8-[(3-bromo-5-chloro-2-pyridinyl)oxy]quinoline
CID 114837621
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
5-chloro-4-quinolin-8-yloxy-1H-pyrimidin-6-one
CID 114676180
4-(4-chloro-3-methylphenoxy)-6-quinolin-8-yloxypyrimidin-5-amine
CID 19141838
8-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 114921266
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
8-chloroquinoline;ethane
CID 142246255
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
8-(chloromethoxy)quinoline
CID 79531226
CID 137322014
CID 137322014
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
4,6-dimethyl-2-quinolin-8-yloxypyridine-3-carbonitrile
CID 61177447

Frequently Asked Questions

What is the IUPAC name of 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline?
The IUPAC name of 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline (CID 102749564) is 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline.
What is the SMILES notation for 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline?
The canonical SMILES for 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline is Clc1cc(Cl)c(Oc2cccc3cccnc23)nc1Cl.
What is the InChIKey of 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline?
The InChIKey is PLYRRDWKAVEASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl3N2O/c15-9-7-10(16)14(19-13(9)17)20-11-5-1-3-8-4-2-6-18-12(8)11/h1-7H.
What are the key properties of 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline?
8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline has a molecular weight of 325.58 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3,5,6-trichloro-2-pyridinyl)oxy]quinoline is sourced from PubChem (CID 102749564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).