2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid

C12H11F3N2O2S — CID 68876319

IUPAC2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccsc1C1=CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10N2S.C2HF3O2/c11-7-9-3-6-13-10(9)8-1-4-12-5-2-8;3-2(4,5)1(6)7/h1,3,6,12H,2,4-5H2;(H,6,7)
InChIKeyIHUIOFAWCQCIGW-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.63
Rot. Bonds1

About 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid

2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 68876319) has the molecular formula C12H11F3N2O2S and a molecular weight of 304.29 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID68876319
Molecular FormulaC12H11F3N2O2S
Molecular Weight304.29 g/mol
Exact Mass304.05
IUPAC Name2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1ccsc1C1=CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H10N2S.C2HF3O2/c11-7-9-3-6-13-10(9)8-1-4-12-5-2-8;3-2(4,5)1(6)7/h1,3,6,12H,2,4-5H2;(H,6,7)
InChIKeyIHUIOFAWCQCIGW-UHFFFAOYSA-N
XLogP2.63
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic 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 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 68876319) is 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1ccsc1C1=CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is IHUIOFAWCQCIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S.C2HF3O2/c11-7-9-3-6-13-10(9)8-1-4-12-5-2-8;3-2(4,5)1(6)7/h1,3,6,12H,2,4-5H2;(H,6,7).
What are the key properties of 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid?
2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 304.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyridin-4-yl)thiophene-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68876319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).