3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one

C15H14BrNO2 — CID 114760572

IUPAC3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one
SMILESO=C(CCCn1cccc(Br)c1=O)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c16-13-8-4-10-17(15(13)19)11-5-9-14(18)12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2
InChIKeyANFCUAJRFQTCSQ-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.27
Rot. Bonds5

About 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one

3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one (PubChem CID 114760572) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one
PubChem CID114760572
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one
SMILESO=C(CCCn1cccc(Br)c1=O)c1ccccc1
InChIInChI=1S/C15H14BrNO2/c16-13-8-4-10-17(15(13)19)11-5-9-14(18)12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2
InChIKeyANFCUAJRFQTCSQ-UHFFFAOYSA-N
XLogP3.27
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 82146616
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3-bromo-1-dodecylpyridin-2-one
CID 114761270
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
N-(4-aminophenyl)-4-(3-bromo-2-oxo-1-pyridinyl)butanamide
CID 114760151
1,15-diphenylpentadecane-1,15-dione
CID 159981687
4-(2-bromophenoxy)-1-phenylbutan-1-one
CID 60644532
3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one
CID 114760623
3-bromo-1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]pyridin-2-one
CID 114760678
3-bromo-1-[2-(1,3-dioxan-2-yl)ethyl]pyridin-2-one
CID 114760663
4-(4-bromopyrazol-1-yl)-1-phenylbutan-1-one
CID 54910023
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one (CID 114760572) is 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one is O=C(CCCn1cccc(Br)c1=O)c1ccccc1.
What is the InChIKey of 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one?
The InChIKey is ANFCUAJRFQTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-13-8-4-10-17(15(13)19)11-5-9-14(18)12-6-2-1-3-7-12/h1-4,6-8,10H,5,9,11H2.
What are the key properties of 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one?
3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one has a molecular weight of 320.19 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(4-oxo-4-phenylbutyl)pyridin-2-one is sourced from PubChem (CID 114760572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).