bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone

C23H12Cl4N2O — CID 69014975

IUPACbis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone
SMILESO=C(c1cc(Cl)cc(-c2ccncc2)c1Cl)c1cc(Cl)cc(-c2ccncc2)c1Cl
InChIInChI=1S/C23H12Cl4N2O/c24-15-9-17(13-1-5-28-6-2-13)21(26)19(11-15)23(30)20-12-16(25)10-18(22(20)27)14-3-7-29-8-4-14/h1-12H
InChIKeyAPOIMSDULHLNSQ-UHFFFAOYSA-N
MW474.17 g/mol
LogP7.66
Rot. Bonds4

About bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone

bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone (PubChem CID 69014975) has the molecular formula C23H12Cl4N2O and a molecular weight of 474.17 g/mol. Its IUPAC name is bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone.

Molecular Properties

Compound Namebis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone
PubChem CID69014975
Molecular FormulaC23H12Cl4N2O
Molecular Weight474.17 g/mol
Exact Mass471.97
IUPAC Namebis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone
SMILESO=C(c1cc(Cl)cc(-c2ccncc2)c1Cl)c1cc(Cl)cc(-c2ccncc2)c1Cl
InChIInChI=1S/C23H12Cl4N2O/c24-15-9-17(13-1-5-28-6-2-13)21(26)19(11-15)23(30)20-12-16(25)10-18(22(20)27)14-3-7-29-8-4-14/h1-12H
InChIKeyAPOIMSDULHLNSQ-UHFFFAOYSA-N
XLogP7.66
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.17
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone?
The IUPAC name of bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone (CID 69014975) is bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone.
What is the SMILES notation for bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone?
The canonical SMILES for bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone is O=C(c1cc(Cl)cc(-c2ccncc2)c1Cl)c1cc(Cl)cc(-c2ccncc2)c1Cl.
What is the InChIKey of bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone?
The InChIKey is APOIMSDULHLNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Cl4N2O/c24-15-9-17(13-1-5-28-6-2-13)21(26)19(11-15)23(30)20-12-16(25)10-18(22(20)27)14-3-7-29-8-4-14/h1-12H.
What are the key properties of bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone?
bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone has a molecular weight of 474.17 g/mol, XLogP of 7.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,5-dichloro-3-pyridin-4-ylphenyl)methanone is sourced from PubChem (CID 69014975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).