2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one

C8H3BrF3NOS — CID 73012527

IUPAC2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(C(F)(F)F)c2sc(Br)cc12
InChIInChI=1S/C8H3BrF3NOS/c9-5-1-3-6(15-5)4(8(10,11)12)2-13-7(3)14/h1-2H,(H,13,14)
InChIKeyUHOADJDNWGVZRN-UHFFFAOYSA-N
MW298.08 g/mol
LogP3.37
Rot. Bonds

About 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one

2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 73012527) has the molecular formula C8H3BrF3NOS and a molecular weight of 298.08 g/mol. Its IUPAC name is 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one
PubChem CID73012527
Molecular FormulaC8H3BrF3NOS
Molecular Weight298.08 g/mol
Exact Mass296.91
IUPAC Name2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]cc(C(F)(F)F)c2sc(Br)cc12
InChIInChI=1S/C8H3BrF3NOS/c9-5-1-3-6(15-5)4(8(10,11)12)2-13-7(3)14/h1-2H,(H,13,14)
InChIKeyUHOADJDNWGVZRN-UHFFFAOYSA-N
XLogP3.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-7-propan-2-yl-5H-thieno[3,2-c]pyridin-4-one
CID 176902477
7-hydroxy-4-(trifluoromethyl)-2H-isoquinolin-1-one
CID 115063117
2-hydroxysulfanyl-7-(trifluoromethyl)-5H-[1,3]thiazolo[4,5-c]pyridin-4-one
CID 151425173
2-bromo-4-[2-(trifluoromethyl)phenyl]-6H-thieno[2,3-b]pyrrole
CID 138496787
2-bromo-5H-thieno[3,2-c]pyridin-4-one
CID 12875893
5-bromo-3-(trifluoromethyl)thiophene-2-carbaldehyde
CID 82380305
6,15-dibromo-5,14-dithiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-9,18-dione
CID 58224325
4-(bromomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134680867
3-bromo-6-methyl-5-(trifluoromethyl)-1H-pyridin-2-one
CID 169248960
7-bromo-8-fluoro-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 164904644
8-fluoro-4-(trifluoromethyl)-2H-isoquinolin-1-one
CID 115063130
5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
CID 130953520

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one (CID 73012527) is 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one is O=c1[nH]cc(C(F)(F)F)c2sc(Br)cc12.
What is the InChIKey of 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is UHOADJDNWGVZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrF3NOS/c9-5-1-3-6(15-5)4(8(10,11)12)2-13-7(3)14/h1-2H,(H,13,14).
What are the key properties of 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one?
2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 298.08 g/mol, XLogP of 3.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(trifluoromethyl)-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 73012527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).