5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine

C8H3ClF3NS — CID 146155397

IUPAC5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine
SMILESFC(F)(F)c1cc2nc(Cl)ccc2s1
InChIInChI=1S/C8H3ClF3NS/c9-7-2-1-5-4(13-7)3-6(14-5)8(10,11)12/h1-3H
InChIKeyASMDVWWQILCBOL-UHFFFAOYSA-N
MW237.63 g/mol
LogP3.97
Rot. Bonds

About 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine

5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine (PubChem CID 146155397) has the molecular formula C8H3ClF3NS and a molecular weight of 237.63 g/mol. Its IUPAC name is 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine
PubChem CID146155397
Molecular FormulaC8H3ClF3NS
Molecular Weight237.63 g/mol
Exact Mass236.96
IUPAC Name5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine
SMILESFC(F)(F)c1cc2nc(Cl)ccc2s1
InChIInChI=1S/C8H3ClF3NS/c9-7-2-1-5-4(13-7)3-6(14-5)8(10,11)12/h1-3H
InChIKeyASMDVWWQILCBOL-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine?
The IUPAC name of 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine (CID 146155397) is 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine?
The canonical SMILES for 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine is FC(F)(F)c1cc2nc(Cl)ccc2s1.
What is the InChIKey of 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine?
The InChIKey is ASMDVWWQILCBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF3NS/c9-7-2-1-5-4(13-7)3-6(14-5)8(10,11)12/h1-3H.
What are the key properties of 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine?
5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine has a molecular weight of 237.63 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(trifluoromethyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 146155397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).