1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol

C23H24Br2N2O — CID 90669337

IUPAC1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C23H24Br2N2O/c1-3-27(4-2)15-23(28)18-13-21(16-5-9-19(24)10-6-16)26-22(14-18)17-7-11-20(25)12-8-17/h5-14,23,28H,3-4,15H2,1-2H3
InChIKeyCPGOGJLJZHZUAI-UHFFFAOYSA-N
MW504.27 g/mol
LogP6.32
Rot. Bonds7

About 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol

1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol (PubChem CID 90669337) has the molecular formula C23H24Br2N2O and a molecular weight of 504.27 g/mol. Its IUPAC name is 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol.

Molecular Properties

Compound Name1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol
PubChem CID90669337
Molecular FormulaC23H24Br2N2O
Molecular Weight504.27 g/mol
Exact Mass502.03
IUPAC Name1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol
SMILESCCN(CC)CC(O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1
InChIInChI=1S/C23H24Br2N2O/c1-3-27(4-2)15-23(28)18-13-21(16-5-9-19(24)10-6-16)26-22(14-18)17-7-11-20(25)12-8-17/h5-14,23,28H,3-4,15H2,1-2H3
InChIKeyCPGOGJLJZHZUAI-UHFFFAOYSA-N
XLogP6.32
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.27
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol?
The IUPAC name of 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol (CID 90669337) is 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol.
What is the SMILES notation for 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol?
The canonical SMILES for 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol is CCN(CC)CC(O)c1cc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol?
The InChIKey is CPGOGJLJZHZUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Br2N2O/c1-3-27(4-2)15-23(28)18-13-21(16-5-9-19(24)10-6-16)26-22(14-18)17-7-11-20(25)12-8-17/h5-14,23,28H,3-4,15H2,1-2H3.
What are the key properties of 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol?
1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol has a molecular weight of 504.27 g/mol, XLogP of 6.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(4-bromophenyl)-4-pyridinyl]-2-(diethylamino)ethanol is sourced from PubChem (CID 90669337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).