ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

C16H11F3N2O2S — CID 2345862

IUPACethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(F)(F)F)cc(-c3cccnc3)nc2s1
InChIInChI=1S/C16H11F3N2O2S/c1-2-23-15(22)13-6-10-11(16(17,18)19)7-12(21-14(10)24-13)9-4-3-5-20-8-9/h3-8H,2H2,1H3
InChIKeyIDKQQHCCKDQQIV-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.55
Rot. Bonds3

About ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (PubChem CID 2345862) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
PubChem CID2345862
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Nameethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2c(C(F)(F)F)cc(-c3cccnc3)nc2s1
InChIInChI=1S/C16H11F3N2O2S/c1-2-23-15(22)13-6-10-11(16(17,18)19)7-12(21-14(10)24-13)9-4-3-5-20-8-9/h3-8H,2H2,1H3
InChIKeyIDKQQHCCKDQQIV-UHFFFAOYSA-N
XLogP4.55
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate (CID 2345862) is ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is CCOC(=O)c1cc2c(C(F)(F)F)cc(-c3cccnc3)nc2s1.
What is the InChIKey of ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
The InChIKey is IDKQQHCCKDQQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-2-23-15(22)13-6-10-11(16(17,18)19)7-12(21-14(10)24-13)9-4-3-5-20-8-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate?
ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 352.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 2345862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).