5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid

C10H8F3NO3S — CID 82369281

IUPAC5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C10H8F3NO3S/c11-10(12,13)9(17)14-2-1-6-5(4-14)3-7(18-6)8(15)16/h3H,1-2,4H2,(H,15,16)
InChIKeyVUHKTBHYGKWWRX-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.89
Rot. Bonds1

About 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid

5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (PubChem CID 82369281) has the molecular formula C10H8F3NO3S and a molecular weight of 279.24 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
PubChem CID82369281
Molecular FormulaC10H8F3NO3S
Molecular Weight279.24 g/mol
Exact Mass279.02
IUPAC Name5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C10H8F3NO3S/c11-10(12,13)9(17)14-2-1-6-5(4-14)3-7(18-6)8(15)16/h3H,1-2,4H2,(H,15,16)
InChIKeyVUHKTBHYGKWWRX-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid (CID 82369281) is 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(s1)CCN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is VUHKTBHYGKWWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3S/c11-10(12,13)9(17)14-2-1-6-5(4-14)3-7(18-6)8(15)16/h3H,1-2,4H2,(H,15,16).
What are the key properties of 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid?
5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 279.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 82369281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).