(1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one

C15H10Br2N2O — CID 56955718

IUPAC(1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ncccc1Br)/C=C/c1ncccc1Br
InChIInChI=1S/C15H10Br2N2O/c16-12-3-1-9-18-14(12)7-5-11(20)6-8-15-13(17)4-2-10-19-15/h1-10H/b7-5+,8-6+
InChIKeyHZJUTAPASLWTPN-KQQUZDAGSA-N
MW394.07 g/mol
LogP4.30
Rot. Bonds4

About (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one

(1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one (PubChem CID 56955718) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one.

Molecular Properties

Compound Name(1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one
PubChem CID56955718
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name(1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one
SMILESO=C(/C=C/c1ncccc1Br)/C=C/c1ncccc1Br
InChIInChI=1S/C15H10Br2N2O/c16-12-3-1-9-18-14(12)7-5-11(20)6-8-15-13(17)4-2-10-19-15/h1-10H/b7-5+,8-6+
InChIKeyHZJUTAPASLWTPN-KQQUZDAGSA-N
XLogP4.30
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.07
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-Bis(2-pyridyl)-4(1H)-pyridone
CID 619353
2-[2-(5-Bromopyridin-3-yl)ethynyl]-5-methylpyridine
CID 16067787
Uhlmt-72
CID 6518906
(1E,4E)-1,5-Di-2-pyridinyl-1,4-pentadien-3-one
CID 68191671
2-Bromo-6-(pyridin-2-yl)pyridine
CID 11791152
5-Bromo-2,2'-bipyridine
CID 10889870
5,5'-Dibromo-2,2'-bipyridine
CID 10903103
4-Bromo-2,2'-bipyridyl
CID 12087122
N-(4-bromophenyl)-N-(2-pyridinylmethylene)amine
CID 1240080
(1E,4E)-1-(4-bromo-1-methylpyrazol-3-yl)-5-pyridin-2-ylpenta-1,4-dien-3-one
CID 145966158
(1E,4E)-1-(6-methyl-2-pyridinyl)-5-pyridin-2-ylpenta-1,4-dien-3-one
CID 145977584
(3E)-4-(pyridin-2-yl)but-3-en-2-one
CID 11159386

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one?
The IUPAC name of (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one (CID 56955718) is (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one.
What is the SMILES notation for (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one?
The canonical SMILES for (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one is O=C(/C=C/c1ncccc1Br)/C=C/c1ncccc1Br.
What is the InChIKey of (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one?
The InChIKey is HZJUTAPASLWTPN-KQQUZDAGSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-12-3-1-9-18-14(12)7-5-11(20)6-8-15-13(17)4-2-10-19-15/h1-10H/b7-5+,8-6+.
What are the key properties of (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one?
(1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one has a molecular weight of 394.07 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-1,5-bis(3-bromo-2-pyridinyl)penta-1,4-dien-3-one is sourced from PubChem (CID 56955718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).