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

C9H5F3N2O2S — CID 11680502

IUPAC3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nccc(C(F)(F)F)c12
InChIInChI=1S/C9H5F3N2O2S/c10-9(11,12)3-1-2-14-7-4(3)5(13)6(17-7)8(15)16/h1-2H,13H2,(H,15,16)
InChIKeyRVXBAZAWNDLYSI-UHFFFAOYSA-N
MW262.21 g/mol
LogP2.60
Rot. Bonds1

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

3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 11680502) has the molecular formula C9H5F3N2O2S and a molecular weight of 262.21 g/mol. Its IUPAC name is 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID11680502
Molecular FormulaC9H5F3N2O2S
Molecular Weight262.21 g/mol
Exact Mass262.00
IUPAC Name3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESNc1c(C(=O)O)sc2nccc(C(F)(F)F)c12
InChIInChI=1S/C9H5F3N2O2S/c10-9(11,12)3-1-2-14-7-4(3)5(13)6(17-7)8(15)16/h1-2H,13H2,(H,15,16)
InChIKeyRVXBAZAWNDLYSI-UHFFFAOYSA-N
XLogP2.60
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.21
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 11680502) is 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is Nc1c(C(=O)O)sc2nccc(C(F)(F)F)c12.
What is the InChIKey of 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is RVXBAZAWNDLYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2S/c10-9(11,12)3-1-2-14-7-4(3)5(13)6(17-7)8(15)16/h1-2H,13H2,(H,15,16).
What are the key properties of 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 262.21 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 11680502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).