4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid

C8H5NO4S — CID 68863065

IUPAC4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C8H5NO4S/c10-6-3-1-14-2-4(3)9-7(11)5(6)8(12)13/h1-2,10H,(H,9,11)(H,12,13)
InChIKeyNAMWMBRCKIVAHP-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.99
Rot. Bonds1

About 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid

4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid (PubChem CID 68863065) has the molecular formula C8H5NO4S and a molecular weight of 211.20 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid
PubChem CID68863065
Molecular FormulaC8H5NO4S
Molecular Weight211.20 g/mol
Exact Mass210.99
IUPAC Name4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(O)c2cscc2[nH]c1=O
InChIInChI=1S/C8H5NO4S/c10-6-3-1-14-2-4(3)9-7(11)5(6)8(12)13/h1-2,10H,(H,9,11)(H,12,13)
InChIKeyNAMWMBRCKIVAHP-UHFFFAOYSA-N
XLogP0.99
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

7-Hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxylic acid
CID 54735409
N-(cyclopropylmethyl)-4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 54742128
Thieno[3,4-B]pyridine-2,4-diol
CID 56604088
1,2-Dihydro-4-hydroxy-2-oxothieno[3,4-b]pyridine-3-carboxylic acid methyl ester
CID 57970146
7-Hydroxy-5-oxo-4,5-dihydro-2-thia-4-aza-indene-6-carboxylic acid ethyl ester
CID 59702061
N-cyclopropyl-4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 68866600
Methyl 4-hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylate
CID 69072782
4-Hydroxy-1-methyl-2-oxothieno[3,4-b]pyridine-3-carboxylic acid
CID 69076468
4-hydroxy-N-methyl-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxamide
CID 70948680
4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carbaldehyde
CID 136490687
4-chloro-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid
CID 153877419
Methyl 5,7-dihydroxy-3-methylthieno[3,2-b]pyridine-6-carboxylate
CID 75525028

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid (CID 68863065) is 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid is O=C(O)c1c(O)c2cscc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is NAMWMBRCKIVAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO4S/c10-6-3-1-14-2-4(3)9-7(11)5(6)8(12)13/h1-2,10H,(H,9,11)(H,12,13).
What are the key properties of 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid?
4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 211.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1H-thieno[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 68863065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).