thieno[2,3-b]pyridine-4-carboxylic acid

C8H5NO2S — CID 54059213

IUPACthieno[2,3-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2sccc12
InChIInChI=1S/C8H5NO2S/c10-8(11)6-1-3-9-7-5(6)2-4-12-7/h1-4H,(H,10,11)
InChIKeyLYLOGZBRCBMPRL-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.99
Rot. Bonds1

About thieno[2,3-b]pyridine-4-carboxylic acid

thieno[2,3-b]pyridine-4-carboxylic acid (PubChem CID 54059213) has the molecular formula C8H5NO2S and a molecular weight of 179.20 g/mol. Its IUPAC name is thieno[2,3-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Namethieno[2,3-b]pyridine-4-carboxylic acid
PubChem CID54059213
Molecular FormulaC8H5NO2S
Molecular Weight179.20 g/mol
Exact Mass179.00
IUPAC Namethieno[2,3-b]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc2sccc12
InChIInChI=1S/C8H5NO2S/c10-8(11)6-1-3-9-7-5(6)2-4-12-7/h1-4H,(H,10,11)
InChIKeyLYLOGZBRCBMPRL-UHFFFAOYSA-N
XLogP1.99
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[3.2.2]nonan-3-yl)thieno[2,3-b]pyridine-4-carboxamide
CID 90905599
4-oxothiopyrano[2,3-b]pyridine-3-carboxylic acid
CID 74892802
4-(4-bromoanilino)thieno[2,3-b]pyridine-5-carboxylic acid
CID 44561889
[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 66692211
2-thieno[2,3-d]pyrimidin-4-yloxyacetic acid
CID 115596203
3-methoxy-2-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 61395853
2-thieno[2,3-d]pyrimidin-4-ylsulfanylpyridine-4-carboxylic acid
CID 60726195
2-amino-[1,3]thiazolo[5,4-b]pyridine-7-carboxylic acid
CID 84665942
thieno[2,3-d]pyrimidin-4-ylsulfanylformic acid
CID 121352873
2-methyl-4-thieno[2,3-d]pyrimidin-4-yloxybenzoic acid
CID 107672534
4-bromo-2-thieno[2,3-d]pyrimidin-4-ylsulfanylbenzoic acid
CID 115382265
thieno[2,3-b]pyridin-4-ylmethanamine
CID 82414814

Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b]pyridine-4-carboxylic acid?
The IUPAC name of thieno[2,3-b]pyridine-4-carboxylic acid (CID 54059213) is thieno[2,3-b]pyridine-4-carboxylic acid.
What is the SMILES notation for thieno[2,3-b]pyridine-4-carboxylic acid?
The canonical SMILES for thieno[2,3-b]pyridine-4-carboxylic acid is O=C(O)c1ccnc2sccc12.
What is the InChIKey of thieno[2,3-b]pyridine-4-carboxylic acid?
The InChIKey is LYLOGZBRCBMPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S/c10-8(11)6-1-3-9-7-5(6)2-4-12-7/h1-4H,(H,10,11).
What are the key properties of thieno[2,3-b]pyridine-4-carboxylic acid?
thieno[2,3-b]pyridine-4-carboxylic acid has a molecular weight of 179.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 54059213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).