6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid

C9H4F3NO3S — CID 168966792

IUPAC6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2s1
InChIInChI=1S/C9H4F3NO3S/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1-2H,(H,13,14)(H,15,16)
InChIKeyGMEUOGFYQIXQOR-UHFFFAOYSA-N
MW263.20 g/mol
LogP2.31
Rot. Bonds1

About 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid

6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 168966792) has the molecular formula C9H4F3NO3S and a molecular weight of 263.20 g/mol. Its IUPAC name is 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID168966792
Molecular FormulaC9H4F3NO3S
Molecular Weight263.20 g/mol
Exact Mass262.99
IUPAC Name6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2s1
InChIInChI=1S/C9H4F3NO3S/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1-2H,(H,13,14)(H,15,16)
InChIKeyGMEUOGFYQIXQOR-UHFFFAOYSA-N
XLogP2.31
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.20
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid (CID 168966792) is 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)cc(=O)[nH]c2s1.
What is the InChIKey of 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is GMEUOGFYQIXQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO3S/c10-9(11,12)4-2-6(14)13-7-3(4)1-5(17-7)8(15)16/h1-2H,(H,13,14)(H,15,16).
What are the key properties of 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid?
6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 263.20 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-(trifluoromethyl)-7H-thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 168966792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).