bis(4-bromo-2-pyridin-3-ylphenyl)methanone

C23H14Br2N2O — CID 70599981

IUPACbis(4-bromo-2-pyridin-3-ylphenyl)methanone
SMILESO=C(c1ccc(Br)cc1-c1cccnc1)c1ccc(Br)cc1-c1cccnc1
InChIInChI=1S/C23H14Br2N2O/c24-17-5-7-19(21(11-17)15-3-1-9-26-13-15)23(28)20-8-6-18(25)12-22(20)16-4-2-10-27-14-16/h1-14H
InChIKeyWLNKGGRXEOAKBY-UHFFFAOYSA-N
MW494.19 g/mol
LogP6.57
Rot. Bonds4

About bis(4-bromo-2-pyridin-3-ylphenyl)methanone

bis(4-bromo-2-pyridin-3-ylphenyl)methanone (PubChem CID 70599981) has the molecular formula C23H14Br2N2O and a molecular weight of 494.19 g/mol. Its IUPAC name is bis(4-bromo-2-pyridin-3-ylphenyl)methanone.

Molecular Properties

Compound Namebis(4-bromo-2-pyridin-3-ylphenyl)methanone
PubChem CID70599981
Molecular FormulaC23H14Br2N2O
Molecular Weight494.19 g/mol
Exact Mass491.95
IUPAC Namebis(4-bromo-2-pyridin-3-ylphenyl)methanone
SMILESO=C(c1ccc(Br)cc1-c1cccnc1)c1ccc(Br)cc1-c1cccnc1
InChIInChI=1S/C23H14Br2N2O/c24-17-5-7-19(21(11-17)15-3-1-9-26-13-15)23(28)20-8-6-18(25)12-22(20)16-4-2-10-27-14-16/h1-14H
InChIKeyWLNKGGRXEOAKBY-UHFFFAOYSA-N
XLogP6.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.19
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(4-bromo-2-pyridin-3-ylphenyl)methanone?
The IUPAC name of bis(4-bromo-2-pyridin-3-ylphenyl)methanone (CID 70599981) is bis(4-bromo-2-pyridin-3-ylphenyl)methanone.
What is the SMILES notation for bis(4-bromo-2-pyridin-3-ylphenyl)methanone?
The canonical SMILES for bis(4-bromo-2-pyridin-3-ylphenyl)methanone is O=C(c1ccc(Br)cc1-c1cccnc1)c1ccc(Br)cc1-c1cccnc1.
What is the InChIKey of bis(4-bromo-2-pyridin-3-ylphenyl)methanone?
The InChIKey is WLNKGGRXEOAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br2N2O/c24-17-5-7-19(21(11-17)15-3-1-9-26-13-15)23(28)20-8-6-18(25)12-22(20)16-4-2-10-27-14-16/h1-14H.
What are the key properties of bis(4-bromo-2-pyridin-3-ylphenyl)methanone?
bis(4-bromo-2-pyridin-3-ylphenyl)methanone has a molecular weight of 494.19 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-2-pyridin-3-ylphenyl)methanone is sourced from PubChem (CID 70599981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).