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

C12H9F3N2O2S — CID 3648617

IUPAC3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)5-3-6(4-1-2-4)17-10-7(5)8(16)9(20-10)11(18)19/h3-4H,1-2,16H2,(H,18,19)
InChIKeyNWAZUPKXUABACV-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.47
Rot. Bonds2

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

3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 3648617) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID3648617
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC Name3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nc(C3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C12H9F3N2O2S/c13-12(14,15)5-3-6(4-1-2-4)17-10-7(5)8(16)9(20-10)11(18)19/h3-4H,1-2,16H2,(H,18,19)
InChIKeyNWAZUPKXUABACV-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 ≤ 500302.28
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-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 3648617) is 3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2nc(C3CC3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is NWAZUPKXUABACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c13-12(14,15)5-3-6(4-1-2-4)17-10-7(5)8(16)9(20-10)11(18)19/h3-4H,1-2,16H2,(H,18,19).
What are the key properties of 3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-6-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 302.28 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-cyclopropyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 3648617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).