bis[4-(2-bromophenyl)-3-pyridinyl]methanone

C23H14Br2N2O — CID 70585994

IUPACbis[4-(2-bromophenyl)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1-c1ccccc1Br)c1cnccc1-c1ccccc1Br
InChIInChI=1S/C23H14Br2N2O/c24-21-7-3-1-5-17(21)15-9-11-26-13-19(15)23(28)20-14-27-12-10-16(20)18-6-2-4-8-22(18)25/h1-14H
InChIKeyMDAQNVFSVZZFAI-UHFFFAOYSA-N
MW494.19 g/mol
LogP6.57
Rot. Bonds4

About bis[4-(2-bromophenyl)-3-pyridinyl]methanone

bis[4-(2-bromophenyl)-3-pyridinyl]methanone (PubChem CID 70585994) has the molecular formula C23H14Br2N2O and a molecular weight of 494.19 g/mol. Its IUPAC name is bis[4-(2-bromophenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Namebis[4-(2-bromophenyl)-3-pyridinyl]methanone
PubChem CID70585994
Molecular FormulaC23H14Br2N2O
Molecular Weight494.19 g/mol
Exact Mass491.95
IUPAC Namebis[4-(2-bromophenyl)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1-c1ccccc1Br)c1cnccc1-c1ccccc1Br
InChIInChI=1S/C23H14Br2N2O/c24-21-7-3-1-5-17(21)15-9-11-26-13-19(15)23(28)20-14-27-12-10-16(20)18-6-2-4-8-22(18)25/h1-14H
InChIKeyMDAQNVFSVZZFAI-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-(2-bromophenyl)-3-pyridinyl]methanone?
The IUPAC name of bis[4-(2-bromophenyl)-3-pyridinyl]methanone (CID 70585994) is bis[4-(2-bromophenyl)-3-pyridinyl]methanone.
What is the SMILES notation for bis[4-(2-bromophenyl)-3-pyridinyl]methanone?
The canonical SMILES for bis[4-(2-bromophenyl)-3-pyridinyl]methanone is O=C(c1cnccc1-c1ccccc1Br)c1cnccc1-c1ccccc1Br.
What is the InChIKey of bis[4-(2-bromophenyl)-3-pyridinyl]methanone?
The InChIKey is MDAQNVFSVZZFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br2N2O/c24-21-7-3-1-5-17(21)15-9-11-26-13-19(15)23(28)20-14-27-12-10-16(20)18-6-2-4-8-22(18)25/h1-14H.
What are the key properties of bis[4-(2-bromophenyl)-3-pyridinyl]methanone?
bis[4-(2-bromophenyl)-3-pyridinyl]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-(2-bromophenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 70585994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).