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

C14H8F3NOS — CID 162503154

IUPAC2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]ccc2sc(-c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19)
InChIKeyVLFDLJRNDLMKPG-UHFFFAOYSA-N
MW295.29 g/mol
LogP4.28
Rot. Bonds1

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

2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 162503154) has the molecular formula C14H8F3NOS and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one
PubChem CID162503154
Molecular FormulaC14H8F3NOS
Molecular Weight295.29 g/mol
Exact Mass295.03
IUPAC Name2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]ccc2sc(-c3cccc(C(F)(F)F)c3)cc12
InChIInChI=1S/C14H8F3NOS/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19)
InChIKeyVLFDLJRNDLMKPG-UHFFFAOYSA-N
XLogP4.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091798
4-methyl-3-[3-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133091903
2-phenyl-7-(trifluoromethyl)thiochromen-4-one
CID 154712014
2-oxo-4-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile
CID 1488766
2-bromo-5H-thieno[3,2-c]pyridin-4-one
CID 12875893
5-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one
CID 117127130
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
5-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one;hydrochloride
CID 141001712
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 173110698
4-methyl-2-oxo-N'-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carboximidamide
CID 154040816
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
6-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67173582

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one (CID 162503154) is 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one is O=c1[nH]ccc2sc(-c3cccc(C(F)(F)F)c3)cc12.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is VLFDLJRNDLMKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NOS/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one?
2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 295.29 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 162503154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).