3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid

C12H7NO3S — CID 139653261

IUPAC3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1ccco1
InChIInChI=1S/C12H7NO3S/c14-12(15)10-9(8-4-2-6-16-8)7-3-1-5-13-11(7)17-10/h1-6H,(H,14,15)
InChIKeyZXHOBGZBSQUQKA-UHFFFAOYSA-N
MW245.26 g/mol
LogP3.25
Rot. Bonds2

About 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid

3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139653261) has the molecular formula C12H7NO3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139653261
Molecular FormulaC12H7NO3S
Molecular Weight245.26 g/mol
Exact Mass245.01
IUPAC Name3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2ncccc2c1-c1ccco1
InChIInChI=1S/C12H7NO3S/c14-12(15)10-9(8-4-2-6-16-8)7-3-1-5-13-11(7)17-10/h1-6H,(H,14,15)
InChIKeyZXHOBGZBSQUQKA-UHFFFAOYSA-N
XLogP3.25
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Benzyloxy)thieno[2,3-b]pyridine-2-carboxylic acid
CID 1478615
3-(Furan-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylic acid
CID 1490062
1-[3-(4-Fluorophenyl)thieno[2,3-b]pyridin-2-yl]-3-(furan-3-yl)propan-1-one
CID 58026326
1-[5-(4-Fluorophenyl)-2-(furan-2-yl)-4-pyridin-4-ylthiophen-3-yl]-3-phenylpropan-1-ol
CID 118911860
3-[4-[3-(Dimethylamino)propoxy]-3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651760
Phenylfurylthieno[2,3-b]pyridyl-methane
CID 129874477
[2-(Furan-2-yl)thieno[2,3-b]pyridin-3-yl]-thiophen-2-ylmethanone
CID 134953466
Ethyl 3-amino-4-(furan-2-yl)-6-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxylate
CID 139219261
4-Fluoro-3-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
CID 106535041
2-Fluoro-5-furo[3,2-c]pyridin-4-ylsulfanylbenzoic acid
CID 106535046
5-(4-Ethoxy-2-fluorophenyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 167901191
3-(6-Thiophen-3-yl-1-benzofuran-3-yl)pyridine
CID 12094548

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid (CID 139653261) is 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2ncccc2c1-c1ccco1.
What is the InChIKey of 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ZXHOBGZBSQUQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO3S/c14-12(15)10-9(8-4-2-6-16-8)7-3-1-5-13-11(7)17-10/h1-6H,(H,14,15).
What are the key properties of 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid?
3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139653261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).