6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid

C16H10F3NO4S — CID 138512789

IUPAC6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cccc(C(F)(F)F)c2)c2ccsc12
InChIInChI=1S/C16H10F3NO4S/c17-16(18,19)9-3-1-2-8(6-9)7-20-10-4-5-25-13(10)11(15(23)24)12(21)14(20)22/h1-6,21H,7H2,(H,23,24)
InChIKeyVIFSZALPJKDMBB-UHFFFAOYSA-N
MW369.32 g/mol
LogP3.53
Rot. Bonds3

About 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid

6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512789) has the molecular formula C16H10F3NO4S and a molecular weight of 369.32 g/mol. Its IUPAC name is 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512789
Molecular FormulaC16H10F3NO4S
Molecular Weight369.32 g/mol
Exact Mass369.03
IUPAC Name6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cccc(C(F)(F)F)c2)c2ccsc12
InChIInChI=1S/C16H10F3NO4S/c17-16(18,19)9-3-1-2-8(6-9)7-20-10-4-5-25-13(10)11(15(23)24)12(21)14(20)22/h1-6,21H,7H2,(H,23,24)
InChIKeyVIFSZALPJKDMBB-UHFFFAOYSA-N
XLogP3.53
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid (CID 138512789) is 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cccc(C(F)(F)F)c2)c2ccsc12.
What is the InChIKey of 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is VIFSZALPJKDMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO4S/c17-16(18,19)9-3-1-2-8(6-9)7-20-10-4-5-25-13(10)11(15(23)24)12(21)14(20)22/h1-6,21H,7H2,(H,23,24).
What are the key properties of 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid?
6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 369.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).