3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

C12H11F3N2O2S — CID 4778634

IUPAC3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCc1nc2sc(C(=O)O)c(N)c2c(C(F)(F)F)c1C
InChIInChI=1S/C12H11F3N2O2S/c1-3-5-4(2)7(12(13,14)15)6-8(16)9(11(18)19)20-10(6)17-5/h3,16H2,1-2H3,(H,18,19)
InChIKeyDOJSZPUDEWQOQG-UHFFFAOYSA-N
MW304.29 g/mol
LogP3.47
Rot. Bonds2

About 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid

3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 4778634) has the molecular formula C12H11F3N2O2S and a molecular weight of 304.29 g/mol. Its IUPAC name is 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID4778634
Molecular FormulaC12H11F3N2O2S
Molecular Weight304.29 g/mol
Exact Mass304.05
IUPAC Name3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESCCc1nc2sc(C(=O)O)c(N)c2c(C(F)(F)F)c1C
InChIInChI=1S/C12H11F3N2O2S/c1-3-5-4(2)7(12(13,14)15)6-8(16)9(11(18)19)20-10(6)17-5/h3,16H2,1-2H3,(H,18,19)
InChIKeyDOJSZPUDEWQOQG-UHFFFAOYSA-N
XLogP3.47
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 4778634) is 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is CCc1nc2sc(C(=O)O)c(N)c2c(C(F)(F)F)c1C.
What is the InChIKey of 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is DOJSZPUDEWQOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S/c1-3-5-4(2)7(12(13,14)15)6-8(16)9(11(18)19)20-10(6)17-5/h3,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 304.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethyl-5-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 4778634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).