2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine

C22H14Cl2N2O — CID 141478463

IUPAC2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine
SMILESClc1ccc(-c2ccccc2Oc2ccccc2-c2ccc(Cl)nc2)cn1
InChIInChI=1S/C22H14Cl2N2O/c23-21-11-9-15(13-25-21)17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)16-10-12-22(24)26-14-16/h1-14H
InChIKeyOCAHQDIUMNDNSY-UHFFFAOYSA-N
MW393.27 g/mol
LogP6.91
Rot. Bonds4

About 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine

2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine (PubChem CID 141478463) has the molecular formula C22H14Cl2N2O and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine
PubChem CID141478463
Molecular FormulaC22H14Cl2N2O
Molecular Weight393.27 g/mol
Exact Mass392.05
IUPAC Name2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine
SMILESClc1ccc(-c2ccccc2Oc2ccccc2-c2ccc(Cl)nc2)cn1
InChIInChI=1S/C22H14Cl2N2O/c23-21-11-9-15(13-25-21)17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)16-10-12-22(24)26-14-16/h1-14H
InChIKeyOCAHQDIUMNDNSY-UHFFFAOYSA-N
XLogP6.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.27
LogP ≤ 56.91
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-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine?
The IUPAC name of 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine (CID 141478463) is 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine.
What is the SMILES notation for 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine?
The canonical SMILES for 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine is Clc1ccc(-c2ccccc2Oc2ccccc2-c2ccc(Cl)nc2)cn1.
What is the InChIKey of 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine?
The InChIKey is OCAHQDIUMNDNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2O/c23-21-11-9-15(13-25-21)17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)16-10-12-22(24)26-14-16/h1-14H.
What are the key properties of 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine?
2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine has a molecular weight of 393.27 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[2-(6-chloro-3-pyridinyl)phenoxy]phenyl]pyridine is sourced from PubChem (CID 141478463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).