methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate

C10H5ClF3NO2S — CID 2775350

IUPACmethyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
SMILESCOC(=O)c1scc2c(Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C10H5ClF3NO2S/c1-17-9(16)8-7-4(3-18-8)5(11)2-6(15-7)10(12,13)14/h2-3H,1H3
InChIKeySVZOEAIMNWEEBS-UHFFFAOYSA-N
MW295.67 g/mol
LogP3.76
Rot. Bonds1

About methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate

methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate (PubChem CID 2775350) has the molecular formula C10H5ClF3NO2S and a molecular weight of 295.67 g/mol. Its IUPAC name is methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
PubChem CID2775350
Molecular FormulaC10H5ClF3NO2S
Molecular Weight295.67 g/mol
Exact Mass294.97
IUPAC Namemethyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate
SMILESCOC(=O)c1scc2c(Cl)cc(C(F)(F)F)nc12
InChIInChI=1S/C10H5ClF3NO2S/c1-17-9(16)8-7-4(3-18-8)5(11)2-6(15-7)10(12,13)14/h2-3H,1H3
InChIKeySVZOEAIMNWEEBS-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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate?
The IUPAC name of methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate (CID 2775350) is methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate is COC(=O)c1scc2c(Cl)cc(C(F)(F)F)nc12.
What is the InChIKey of methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate?
The InChIKey is SVZOEAIMNWEEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF3NO2S/c1-17-9(16)8-7-4(3-18-8)5(11)2-6(15-7)10(12,13)14/h2-3H,1H3.
What are the key properties of methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate?
methyl 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-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 4-chloro-2-(trifluoromethyl)thieno[3,4-b]pyridine-7-carboxylate is sourced from PubChem (CID 2775350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).