2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid

C9H5F2NO2S — CID 84692458

IUPAC2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2sc(C(F)F)cc2n1
InChIInChI=1S/C9H5F2NO2S/c10-8(11)7-3-5-6(15-7)2-1-4(12-5)9(13)14/h1-3,8H,(H,13,14)
InChIKeyYCUNFPUUKPBVBP-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.93
Rot. Bonds2

About 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid

2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid (PubChem CID 84692458) has the molecular formula C9H5F2NO2S and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid
PubChem CID84692458
Molecular FormulaC9H5F2NO2S
Molecular Weight229.21 g/mol
Exact Mass229.00
IUPAC Name2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2sc(C(F)F)cc2n1
InChIInChI=1S/C9H5F2NO2S/c10-8(11)7-3-5-6(15-7)2-1-4(12-5)9(13)14/h1-3,8H,(H,13,14)
InChIKeyYCUNFPUUKPBVBP-UHFFFAOYSA-N
XLogP2.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid (CID 84692458) is 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2sc(C(F)F)cc2n1.
What is the InChIKey of 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid?
The InChIKey is YCUNFPUUKPBVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2S/c10-8(11)7-3-5-6(15-7)2-1-4(12-5)9(13)14/h1-3,8H,(H,13,14).
What are the key properties of 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid?
2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid has a molecular weight of 229.21 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)thieno[3,2-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 84692458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).