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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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).