5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one

C8H7BrF3NO2 — CID 106705701

IUPAC5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1COCC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c9-6-1-2-7(14)13(3-6)5-15-4-8(10,11)12/h1-3H,4-5H2
InChIKeyMQIQYDQDFQUZTN-UHFFFAOYSA-N
MW286.05 g/mol
LogP2.15
Rot. Bonds3

About 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one

5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one (PubChem CID 106705701) has the molecular formula C8H7BrF3NO2 and a molecular weight of 286.05 g/mol. Its IUPAC name is 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
PubChem CID106705701
Molecular FormulaC8H7BrF3NO2
Molecular Weight286.05 g/mol
Exact Mass284.96
IUPAC Name5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one
SMILESO=c1ccc(Br)cn1COCC(F)(F)F
InChIInChI=1S/C8H7BrF3NO2/c9-6-1-2-7(14)13(3-6)5-15-4-8(10,11)12/h1-3H,4-5H2
InChIKeyMQIQYDQDFQUZTN-UHFFFAOYSA-N
XLogP2.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.05
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-1-(difluoromethyl)-1,2-dihydropyridin-2-one
CID 23115994
4-Bromo-1-(difluoromethyl)pyridin-2(1H)-one
CID 23115999
5-Bromo-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 53408099
1-(Ethoxymethyl)-5-fluoropyridin-2-one
CID 53880600
5-Bromo-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 60746500
5-Bromo-1-(2,2-difluoroethyl)pyridin-2(1H)-one
CID 66308684
3-Bromo-1-(difluoromethyl)pyridin-2(1H)-one
CID 112693744
5-Bromo-1-(trifluoromethyl)pyridin-2-one
CID 176169542
3-Bromo-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
CID 178099295
5-Bromo-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-one
CID 61517135
5-Bromo-1-[3-(2,2,2-trifluoroethoxy)propyl]pyridin-2-one
CID 64849950
5-Bromo-1-[2-(trifluoromethoxy)ethyl]pyridin-2-one
CID 66309335

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The IUPAC name of 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one (CID 106705701) is 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one.
What is the SMILES notation for 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The canonical SMILES for 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one is O=c1ccc(Br)cn1COCC(F)(F)F.
What is the InChIKey of 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
The InChIKey is MQIQYDQDFQUZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2/c9-6-1-2-7(14)13(3-6)5-15-4-8(10,11)12/h1-3H,4-5H2.
What are the key properties of 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one?
5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one has a molecular weight of 286.05 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,2,2-trifluoroethoxymethyl)pyridin-2-one is sourced from PubChem (CID 106705701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).