methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

C10H5ClF3NO2S — CID 2780353

IUPACmethyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2c(C(F)(F)F)cc(Cl)nc12
InChIInChI=1S/C10H5ClF3NO2S/c1-17-9(16)4-3-18-8-5(10(12,13)14)2-6(11)15-7(4)8/h2-3H,1H3
InChIKeyGVXHSMAJJFVLGD-UHFFFAOYSA-N
MW295.67 g/mol
LogP3.76
Rot. Bonds1

About methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate (PubChem CID 2780353) has the molecular formula C10H5ClF3NO2S and a molecular weight of 295.67 g/mol. Its IUPAC name is methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
PubChem CID2780353
Molecular FormulaC10H5ClF3NO2S
Molecular Weight295.67 g/mol
Exact Mass294.97
IUPAC Namemethyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate
SMILESCOC(=O)c1csc2c(C(F)(F)F)cc(Cl)nc12
InChIInChI=1S/C10H5ClF3NO2S/c1-17-9(16)4-3-18-8-5(10(12,13)14)2-6(11)15-7(4)8/h2-3H,1H3
InChIKeyGVXHSMAJJFVLGD-UHFFFAOYSA-N
XLogP3.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.67
LogP ≤ 53.76
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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Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate (CID 2780353) is methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate is COC(=O)c1csc2c(C(F)(F)F)cc(Cl)nc12.
What is the InChIKey of methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
The InChIKey is GVXHSMAJJFVLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO2S/c1-17-9(16)4-3-18-8-5(10(12,13)14)2-6(11)15-7(4)8/h2-3H,1H3.
What are the key properties of methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate?
methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate has a molecular weight of 295.67 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate is sourced from PubChem (CID 2780353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).