2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine

C16H14Cl3NO2 — CID 87150314

IUPAC2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine
SMILESClc1cc(-c2ccnc(Cl)c2Cl)ccc1OC1CCOCC1
InChIInChI=1S/C16H14Cl3NO2/c17-13-9-10(12-3-6-20-16(19)15(12)18)1-2-14(13)22-11-4-7-21-8-5-11/h1-3,6,9,11H,4-5,7-8H2
InChIKeyBSBLIUXZYPQNNK-UHFFFAOYSA-N
MW358.65 g/mol
LogP5.27
Rot. Bonds3

About 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine

2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine (PubChem CID 87150314) has the molecular formula C16H14Cl3NO2 and a molecular weight of 358.65 g/mol. Its IUPAC name is 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine.

Molecular Properties

Compound Name2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine
PubChem CID87150314
Molecular FormulaC16H14Cl3NO2
Molecular Weight358.65 g/mol
Exact Mass357.01
IUPAC Name2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine
SMILESClc1cc(-c2ccnc(Cl)c2Cl)ccc1OC1CCOCC1
InChIInChI=1S/C16H14Cl3NO2/c17-13-9-10(12-3-6-20-16(19)15(12)18)1-2-14(13)22-11-4-7-21-8-5-11/h1-3,6,9,11H,4-5,7-8H2
InChIKeyBSBLIUXZYPQNNK-UHFFFAOYSA-N
XLogP5.27
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine?
The IUPAC name of 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine (CID 87150314) is 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine.
What is the SMILES notation for 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine?
The canonical SMILES for 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine is Clc1cc(-c2ccnc(Cl)c2Cl)ccc1OC1CCOCC1.
What is the InChIKey of 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine?
The InChIKey is BSBLIUXZYPQNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO2/c17-13-9-10(12-3-6-20-16(19)15(12)18)1-2-14(13)22-11-4-7-21-8-5-11/h1-3,6,9,11H,4-5,7-8H2.
What are the key properties of 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine?
2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine has a molecular weight of 358.65 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-[3-chloro-4-(oxan-4-yloxy)phenyl]pyridine is sourced from PubChem (CID 87150314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).