3-bromo-6-ethyl-1H-pyridin-2-one

C7H8BrNO — CID 67069965

IUPAC3-bromo-6-ethyl-1H-pyridin-2-one
SMILESCCc1ccc(Br)c(=O)[nH]1
InChIInChI=1S/C7H8BrNO/c1-2-5-3-4-6(8)7(10)9-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyHYNGCWHQINFMPF-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.70
Rot. Bonds1

About 3-bromo-6-ethyl-1H-pyridin-2-one

3-bromo-6-ethyl-1H-pyridin-2-one (PubChem CID 67069965) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 3-bromo-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-ethyl-1H-pyridin-2-one
PubChem CID67069965
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name3-bromo-6-ethyl-1H-pyridin-2-one
SMILESCCc1ccc(Br)c(=O)[nH]1
InChIInChI=1S/C7H8BrNO/c1-2-5-3-4-6(8)7(10)9-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyHYNGCWHQINFMPF-UHFFFAOYSA-N
XLogP1.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.05
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 3-bromo-6-ethyl-1H-pyridin-2-one (CID 67069965) is 3-bromo-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-6-ethyl-1H-pyridin-2-one is CCc1ccc(Br)c(=O)[nH]1.
What is the InChIKey of 3-bromo-6-ethyl-1H-pyridin-2-one?
The InChIKey is HYNGCWHQINFMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-2-5-3-4-6(8)7(10)9-5/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 3-bromo-6-ethyl-1H-pyridin-2-one?
3-bromo-6-ethyl-1H-pyridin-2-one has a molecular weight of 202.05 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 67069965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).