3-bromo-1-(2-phenylethyl)pyridin-2-one

C13H12BrNO — CID 114761280

IUPAC3-bromo-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CCc1ccccc1
InChIInChI=1S/C13H12BrNO/c14-12-7-4-9-15(13(12)16)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChIKeyMAHIXRLWHXBSHM-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.85
Rot. Bonds3

About 3-bromo-1-(2-phenylethyl)pyridin-2-one

3-bromo-1-(2-phenylethyl)pyridin-2-one (PubChem CID 114761280) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-bromo-1-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-(2-phenylethyl)pyridin-2-one
PubChem CID114761280
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name3-bromo-1-(2-phenylethyl)pyridin-2-one
SMILESO=c1c(Br)cccn1CCc1ccccc1
InChIInChI=1S/C13H12BrNO/c14-12-7-4-9-15(13(12)16)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2
InChIKeyMAHIXRLWHXBSHM-UHFFFAOYSA-N
XLogP2.85
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 3-bromo-1-(2-phenylethyl)pyridin-2-one (CID 114761280) is 3-bromo-1-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 3-bromo-1-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 3-bromo-1-(2-phenylethyl)pyridin-2-one is O=c1c(Br)cccn1CCc1ccccc1.
What is the InChIKey of 3-bromo-1-(2-phenylethyl)pyridin-2-one?
The InChIKey is MAHIXRLWHXBSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-12-7-4-9-15(13(12)16)10-8-11-5-2-1-3-6-11/h1-7,9H,8,10H2.
What are the key properties of 3-bromo-1-(2-phenylethyl)pyridin-2-one?
3-bromo-1-(2-phenylethyl)pyridin-2-one has a molecular weight of 278.15 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 114761280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).