(E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one

C14H10BrNO2 — CID 6263971

IUPAC(E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1ccc(Br)cc1O
InChIInChI=1S/C14H10BrNO2/c15-10-4-6-12(14(18)9-10)13(17)7-5-11-3-1-2-8-16-11/h1-9,18H/b7-5+
InChIKeyHEUBAVZAMIRYAO-FNORWQNLSA-N
MW304.14 g/mol
LogP3.45
Rot. Bonds3

About (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one

(E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 6263971) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one
PubChem CID6263971
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name(E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccn1)c1ccc(Br)cc1O
InChIInChI=1S/C14H10BrNO2/c15-10-4-6-12(14(18)9-10)13(17)7-5-11-3-1-2-8-16-11/h1-9,18H/b7-5+
InChIKeyHEUBAVZAMIRYAO-FNORWQNLSA-N
XLogP3.45
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one (CID 6263971) is (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccccn1)c1ccc(Br)cc1O.
What is the InChIKey of (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is HEUBAVZAMIRYAO-FNORWQNLSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-10-4-6-12(14(18)9-10)13(17)7-5-11-3-1-2-8-16-11/h1-9,18H/b7-5+.
What are the key properties of (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one?
(E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 304.14 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 6263971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).