bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone

C23H14Cl2N2O3 — CID 21276323

IUPACbis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2cccc(Cl)n2)cc1)c1ccc(Oc2cccc(Cl)n2)cc1
InChIInChI=1S/C23H14Cl2N2O3/c24-19-3-1-5-21(26-19)29-17-11-7-15(8-12-17)23(28)16-9-13-18(14-10-16)30-22-6-2-4-20(25)27-22/h1-14H
InChIKeyYDBVPIGQTYWCDG-UHFFFAOYSA-N
MW437.28 g/mol
LogP6.60
Rot. Bonds6

About bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone

bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone (PubChem CID 21276323) has the molecular formula C23H14Cl2N2O3 and a molecular weight of 437.28 g/mol. Its IUPAC name is bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone.

Molecular Properties

Compound Namebis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone
PubChem CID21276323
Molecular FormulaC23H14Cl2N2O3
Molecular Weight437.28 g/mol
Exact Mass436.04
IUPAC Namebis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2cccc(Cl)n2)cc1)c1ccc(Oc2cccc(Cl)n2)cc1
InChIInChI=1S/C23H14Cl2N2O3/c24-19-3-1-5-21(26-19)29-17-11-7-15(8-12-17)23(28)16-9-13-18(14-10-16)30-22-6-2-4-20(25)27-22/h1-14H
InChIKeyYDBVPIGQTYWCDG-UHFFFAOYSA-N
XLogP6.60
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.28
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone?
The IUPAC name of bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone (CID 21276323) is bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone.
What is the SMILES notation for bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone?
The canonical SMILES for bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone is O=C(c1ccc(Oc2cccc(Cl)n2)cc1)c1ccc(Oc2cccc(Cl)n2)cc1.
What is the InChIKey of bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone?
The InChIKey is YDBVPIGQTYWCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2N2O3/c24-19-3-1-5-21(26-19)29-17-11-7-15(8-12-17)23(28)16-9-13-18(14-10-16)30-22-6-2-4-20(25)27-22/h1-14H.
What are the key properties of bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone?
bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone has a molecular weight of 437.28 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanone is sourced from PubChem (CID 21276323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).