1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one

C15H14BrNO2 — CID 62879669

IUPAC1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one
SMILESO=C(CCCn1ccc(=O)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-8,10-11H,1-2,9H2
InChIKeyOJJLVYBDPZWHJN-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.27
Rot. Bonds5

About 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one

1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one (PubChem CID 62879669) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one
PubChem CID62879669
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one
SMILESO=C(CCCn1ccc(=O)cc1)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-8,10-11H,1-2,9H2
InChIKeyOJJLVYBDPZWHJN-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one?
The IUPAC name of 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one (CID 62879669) is 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one.
What is the SMILES notation for 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one?
The canonical SMILES for 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one is O=C(CCCn1ccc(=O)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one?
The InChIKey is OJJLVYBDPZWHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-8,10-11H,1-2,9H2.
What are the key properties of 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one?
1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-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 1-[4-(4-bromophenyl)-4-oxobutyl]pyridin-4-one is sourced from PubChem (CID 62879669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).