3-bromo-4-ethoxy-1H-pyridin-2-one

C7H8BrNO2 — CID 21453478

IUPAC3-bromo-4-ethoxy-1H-pyridin-2-one
SMILESCCOc1cc[nH]c(=O)c1Br
InChIInChI=1S/C7H8BrNO2/c1-2-11-5-3-4-9-7(10)6(5)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyMBJJCQOGNDXEOO-UHFFFAOYSA-N
MW218.05 g/mol
LogP1.54
Rot. Bonds2

About 3-bromo-4-ethoxy-1H-pyridin-2-one

3-bromo-4-ethoxy-1H-pyridin-2-one (PubChem CID 21453478) has the molecular formula C7H8BrNO2 and a molecular weight of 218.05 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-4-ethoxy-1H-pyridin-2-one
PubChem CID21453478
Molecular FormulaC7H8BrNO2
Molecular Weight218.05 g/mol
Exact Mass216.97
IUPAC Name3-bromo-4-ethoxy-1H-pyridin-2-one
SMILESCCOc1cc[nH]c(=O)c1Br
InChIInChI=1S/C7H8BrNO2/c1-2-11-5-3-4-9-7(10)6(5)8/h3-4H,2H2,1H3,(H,9,10)
InChIKeyMBJJCQOGNDXEOO-UHFFFAOYSA-N
XLogP1.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methoxy-1H-pyridin-2-one
CID 119088071
3-bromo-4-[(4-chlorophenyl)methoxy]-1H-pyridin-2-one
CID 121001106
4-ethoxy-3-nitro-1H-pyridin-2-one
CID 167456607
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
3-methyl-4-pentoxy-1H-pyridin-2-one
CID 66739839
3-bromo-4-chloro-1H-pyridin-2-one
CID 119024517
5-bromo-4-ethoxy-1H-pyridin-2-one
CID 119093951
5-bromo-6-methoxy-2H-isoquinolin-1-one
CID 82572165
2,3-dibromo-1-[2-(2,3-dibromo-4-ethoxyphenyl)propan-2-yl]-4-ethoxybenzene
CID 54514286
3-bromo-6-ethoxy-1H-pyridin-2-one
CID 90306952
5-ethoxy-8-fluoro-1H-quinolin-4-one
CID 141173306
1-(3-bromo-4-ethoxy-2-iodophenyl)ethanone
CID 171001298

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-1H-pyridin-2-one?
The IUPAC name of 3-bromo-4-ethoxy-1H-pyridin-2-one (CID 21453478) is 3-bromo-4-ethoxy-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-4-ethoxy-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-4-ethoxy-1H-pyridin-2-one is CCOc1cc[nH]c(=O)c1Br.
What is the InChIKey of 3-bromo-4-ethoxy-1H-pyridin-2-one?
The InChIKey is MBJJCQOGNDXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNO2/c1-2-11-5-3-4-9-7(10)6(5)8/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 3-bromo-4-ethoxy-1H-pyridin-2-one?
3-bromo-4-ethoxy-1H-pyridin-2-one has a molecular weight of 218.05 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-1H-pyridin-2-one is sourced from PubChem (CID 21453478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).