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

C23H14Br2N2O — CID 21116328

IUPACbis[3-(4-bromophenyl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1-c1ccc(Br)cc1)c1ncccc1-c1ccc(Br)cc1
InChIInChI=1S/C23H14Br2N2O/c24-17-9-5-15(6-10-17)19-3-1-13-26-21(19)23(28)22-20(4-2-14-27-22)16-7-11-18(25)12-8-16/h1-14H
InChIKeyMGVLSTVMENBYCB-UHFFFAOYSA-N
MW494.19 g/mol
LogP6.57
Rot. Bonds4

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

bis[3-(4-bromophenyl)-2-pyridinyl]methanone (PubChem CID 21116328) has the molecular formula C23H14Br2N2O and a molecular weight of 494.19 g/mol. Its IUPAC name is bis[3-(4-bromophenyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Namebis[3-(4-bromophenyl)-2-pyridinyl]methanone
PubChem CID21116328
Molecular FormulaC23H14Br2N2O
Molecular Weight494.19 g/mol
Exact Mass491.95
IUPAC Namebis[3-(4-bromophenyl)-2-pyridinyl]methanone
SMILESO=C(c1ncccc1-c1ccc(Br)cc1)c1ncccc1-c1ccc(Br)cc1
InChIInChI=1S/C23H14Br2N2O/c24-17-9-5-15(6-10-17)19-3-1-13-26-21(19)23(28)22-20(4-2-14-27-22)16-7-11-18(25)12-8-16/h1-14H
InChIKeyMGVLSTVMENBYCB-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[3-(4-bromophenyl)-2-pyridinyl]methanone?
The IUPAC name of bis[3-(4-bromophenyl)-2-pyridinyl]methanone (CID 21116328) is bis[3-(4-bromophenyl)-2-pyridinyl]methanone.
What is the SMILES notation for bis[3-(4-bromophenyl)-2-pyridinyl]methanone?
The canonical SMILES for bis[3-(4-bromophenyl)-2-pyridinyl]methanone is O=C(c1ncccc1-c1ccc(Br)cc1)c1ncccc1-c1ccc(Br)cc1.
What is the InChIKey of bis[3-(4-bromophenyl)-2-pyridinyl]methanone?
The InChIKey is MGVLSTVMENBYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br2N2O/c24-17-9-5-15(6-10-17)19-3-1-13-26-21(19)23(28)22-20(4-2-14-27-22)16-7-11-18(25)12-8-16/h1-14H.
What are the key properties of bis[3-(4-bromophenyl)-2-pyridinyl]methanone?
bis[3-(4-bromophenyl)-2-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[3-(4-bromophenyl)-2-pyridinyl]methanone is sourced from PubChem (CID 21116328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).