5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid

C12H6F3NO3S — CID 67325504

IUPAC5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccc(C(=O)C(F)(F)F)s2)c1
InChIInChI=1S/C12H6F3NO3S/c13-12(14,15)10(17)9-2-1-8(20-9)6-3-7(11(18)19)5-16-4-6/h1-5H,(H,18,19)
InChIKeySECTZNPKDVNHDJ-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.25
Rot. Bonds3

About 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid

5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid (PubChem CID 67325504) has the molecular formula C12H6F3NO3S and a molecular weight of 301.25 g/mol. Its IUPAC name is 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid
PubChem CID67325504
Molecular FormulaC12H6F3NO3S
Molecular Weight301.25 g/mol
Exact Mass301.00
IUPAC Name5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(-c2ccc(C(=O)C(F)(F)F)s2)c1
InChIInChI=1S/C12H6F3NO3S/c13-12(14,15)10(17)9-2-1-8(20-9)6-3-7(11(18)19)5-16-4-6/h1-5H,(H,18,19)
InChIKeySECTZNPKDVNHDJ-UHFFFAOYSA-N
XLogP3.25
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid (CID 67325504) is 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid is O=C(O)c1cncc(-c2ccc(C(=O)C(F)(F)F)s2)c1.
What is the InChIKey of 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid?
The InChIKey is SECTZNPKDVNHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO3S/c13-12(14,15)10(17)9-2-1-8(20-9)6-3-7(11(18)19)5-16-4-6/h1-5H,(H,18,19).
What are the key properties of 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid?
5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid has a molecular weight of 301.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,2,2-trifluoroacetyl)thiophen-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 67325504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).