[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone

C13H5ClF3NOS2 — CID 106971859

IUPAC[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESO=C(c1cc2sccc2s1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H5ClF3NOS2/c14-12-6(1-2-10(18-12)13(15,16)17)11(19)9-5-8-7(21-9)3-4-20-8/h1-5H
InChIKeyHFDSYWYKDZXHRK-UHFFFAOYSA-N
MW347.77 g/mol
LogP5.26
Rot. Bonds2

About [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone

[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone (PubChem CID 106971859) has the molecular formula C13H5ClF3NOS2 and a molecular weight of 347.77 g/mol. Its IUPAC name is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone.

Molecular Properties

Compound Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone
PubChem CID106971859
Molecular FormulaC13H5ClF3NOS2
Molecular Weight347.77 g/mol
Exact Mass346.95
IUPAC Name[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone
SMILESO=C(c1cc2sccc2s1)c1ccc(C(F)(F)F)nc1Cl
InChIInChI=1S/C13H5ClF3NOS2/c14-12-6(1-2-10(18-12)13(15,16)17)11(19)9-5-8-7(21-9)3-4-20-8/h1-5H
InChIKeyHFDSYWYKDZXHRK-UHFFFAOYSA-N
XLogP5.26
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.77
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(5-bromothiophen-2-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971907
(2-chloro-4,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 107475859
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-ethylthiophen-2-yl)methanone
CID 106971855
2-chloro-6-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 53256666
(5-bromothiophen-3-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971886
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(3,5-difluorophenyl)methanone
CID 106971906
(2-chloro-4-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanone
CID 81045877
2-chloro-1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53416731
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(2,5-dibromophenyl)methanone
CID 106971800
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
(3-bromo-4-chlorophenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 107996916
(2-bromo-4-methylphenyl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971760

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone?
The IUPAC name of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone (CID 106971859) is [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone.
What is the SMILES notation for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone?
The canonical SMILES for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone is O=C(c1cc2sccc2s1)c1ccc(C(F)(F)F)nc1Cl.
What is the InChIKey of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone?
The InChIKey is HFDSYWYKDZXHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF3NOS2/c14-12-6(1-2-10(18-12)13(15,16)17)11(19)9-5-8-7(21-9)3-4-20-8/h1-5H.
What are the key properties of [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone?
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone has a molecular weight of 347.77 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(trifluoromethyl)-3-pyridinyl]-thieno[3,2-b]thiophen-5-ylmethanone is sourced from PubChem (CID 106971859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).