2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid

C8H7NO2S — CID 164820283

IUPAC2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2c1SCC2
InChIInChI=1S/C8H7NO2S/c10-8(11)5-1-3-9-6-2-4-12-7(5)6/h1,3H,2,4H2,(H,10,11)
InChIKeyVWBYOTARUYGCHI-UHFFFAOYSA-N
MW181.22 g/mol
LogP1.43
Rot. Bonds1

About 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid

2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 164820283) has the molecular formula C8H7NO2S and a molecular weight of 181.22 g/mol. Its IUPAC name is 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID164820283
Molecular FormulaC8H7NO2S
Molecular Weight181.22 g/mol
Exact Mass181.02
IUPAC Name2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2c1SCC2
InChIInChI=1S/C8H7NO2S/c10-8(11)5-1-3-9-6-2-4-12-7(5)6/h1,3H,2,4H2,(H,10,11)
InChIKeyVWBYOTARUYGCHI-UHFFFAOYSA-N
XLogP1.43
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.22
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 84656372
2-hydroxy-3,4-dihydrooxaborinino[5,6-b]pyridine-8-carboxylic acid
CID 140844807
6,8-dihydro-5H-pyrano[3,4-b]pyridine-4-carboxylic acid
CID 84718083
4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-9-carboxylic acid
CID 83822997
thieno[2,3-b]pyridine-4-carboxylic acid
CID 54059213
2-amino-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
CID 84665942
3-chloropyridine-2,4-dicarboxylic acid
CID 134247663
3-chloro-2-(thiolan-3-ylamino)pyridine-4-carboxylic acid
CID 107063139
lithium;2,3-dichloropyridine-4-carboxylic acid;hydride
CID 174387872
3-amino-2-methylpyridine-4-carboxylic acid
CID 14447106
6-oxo-5H-1,5-naphthyridine-4-carboxylic acid
CID 146599640
2-chloro-3-formylpyridine-4-carboxylic acid
CID 70700634

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid (CID 164820283) is 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2c1SCC2.
What is the InChIKey of 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is VWBYOTARUYGCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2S/c10-8(11)5-1-3-9-6-2-4-12-7(5)6/h1,3H,2,4H2,(H,10,11).
What are the key properties of 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid?
2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 181.22 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 164820283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).