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

C7H8BrNO — CID 130630213

IUPAC5-bromo-6-ethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)ccc1Br
InChIInChI=1S/C7H8BrNO/c1-2-6-5(8)3-4-7(10)9-6/h3-4H,2H2,1H3,(H,9,10)
InChIKeyNDRIWLRTMQKWTD-UHFFFAOYSA-N
MW202.05 g/mol
LogP1.70
Rot. Bonds1

About 5-bromo-6-ethyl-1H-pyridin-2-one

5-bromo-6-ethyl-1H-pyridin-2-one (PubChem CID 130630213) has the molecular formula C7H8BrNO and a molecular weight of 202.05 g/mol. Its IUPAC name is 5-bromo-6-ethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-bromo-6-ethyl-1H-pyridin-2-one
PubChem CID130630213
Molecular FormulaC7H8BrNO
Molecular Weight202.05 g/mol
Exact Mass200.98
IUPAC Name5-bromo-6-ethyl-1H-pyridin-2-one
SMILESCCc1[nH]c(=O)ccc1Br
InChIInChI=1S/C7H8BrNO/c1-2-6-5(8)3-4-7(10)9-6/h3-4H,2H2,1H3,(H,9,10)
InChIKeyNDRIWLRTMQKWTD-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 5-bromo-6-ethyl-1H-pyridin-2-one?
The IUPAC name of 5-bromo-6-ethyl-1H-pyridin-2-one (CID 130630213) is 5-bromo-6-ethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-bromo-6-ethyl-1H-pyridin-2-one?
The canonical SMILES for 5-bromo-6-ethyl-1H-pyridin-2-one is CCc1[nH]c(=O)ccc1Br.
What is the InChIKey of 5-bromo-6-ethyl-1H-pyridin-2-one?
The InChIKey is NDRIWLRTMQKWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO/c1-2-6-5(8)3-4-7(10)9-6/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 5-bromo-6-ethyl-1H-pyridin-2-one?
5-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 5-bromo-6-ethyl-1H-pyridin-2-one is sourced from PubChem (CID 130630213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).