2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid

C15H9NO4S — CID 139601052

IUPAC2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sc(C(=O)c3ccccc3)c(O)c2c1
InChIInChI=1S/C15H9NO4S/c17-11(8-4-2-1-3-5-8)13-12(18)10-6-9(15(19)20)7-16-14(10)21-13/h1-7,18H,(H,19,20)
InChIKeyIELQHYGYEKTIFJ-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.93
Rot. Bonds3

About 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid

2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid (PubChem CID 139601052) has the molecular formula C15H9NO4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid
PubChem CID139601052
Molecular FormulaC15H9NO4S
Molecular Weight299.31 g/mol
Exact Mass299.03
IUPAC Name2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1cnc2sc(C(=O)c3ccccc3)c(O)c2c1
InChIInChI=1S/C15H9NO4S/c17-11(8-4-2-1-3-5-8)13-12(18)10-6-9(15(19)20)7-16-14(10)21-13/h1-7,18H,(H,19,20)
InChIKeyIELQHYGYEKTIFJ-UHFFFAOYSA-N
XLogP2.93
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxybenzo[f][1]benzothiol-2-yl)-phenylmethanone
CID 136703007
3-hydroxy-5-iodothieno[2,3-b]pyridine-2-carboxylic acid
CID 154574946
2-[4-(3-hydroxythieno[2,3-b]pyridine-2-carbonyl)phenyl]propanoic acid
CID 139601090
2-benzoyl-5-bromothiophene-3-carboxylic acid
CID 91881866
phenyl 3-hydroxythieno[2,3-b]pyridine-2-carboxylate
CID 67872823
N-(2,2-diphenylethenyl)-3-hydroxythieno[2,3-b]pyridine-2-carboxamide
CID 54717219
2-[4-(2-benzoyl-6-hydroxy-1-benzothiophen-3-yl)phenyl]-1,3-oxazole-5-carboxylic acid
CID 139403890
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
5-benzoylpyridine-2-carboxylic acid
CID 165358123
3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 950368
(4-amino-3-methylsulfanylthieno[2,3-c][1,2]thiazol-5-yl)-phenylmethanone
CID 12695355
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid (CID 139601052) is 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid is O=C(O)c1cnc2sc(C(=O)c3ccccc3)c(O)c2c1.
What is the InChIKey of 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid?
The InChIKey is IELQHYGYEKTIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4S/c17-11(8-4-2-1-3-5-8)13-12(18)10-6-9(15(19)20)7-16-14(10)21-13/h1-7,18H,(H,19,20).
What are the key properties of 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid?
2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-3-hydroxythieno[2,3-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 139601052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).