7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid

C11H5IN2O4S — CID 123447302

IUPAC7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1nc(I)c2c(-c3cccs3)noc2c1O
InChIInChI=1S/C11H5IN2O4S/c12-10-5-6(4-2-1-3-19-4)14-18-9(5)8(15)7(13-10)11(16)17/h1-3,15H,(H,16,17)
InChIKeyIWZMBGHHIFNMRG-UHFFFAOYSA-N
MW388.14 g/mol
LogP2.96
Rot. Bonds2

About 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid

7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 123447302) has the molecular formula C11H5IN2O4S and a molecular weight of 388.14 g/mol. Its IUPAC name is 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
PubChem CID123447302
Molecular FormulaC11H5IN2O4S
Molecular Weight388.14 g/mol
Exact Mass387.90
IUPAC Name7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)c1nc(I)c2c(-c3cccs3)noc2c1O
InChIInChI=1S/C11H5IN2O4S/c12-10-5-6(4-2-1-3-19-4)14-18-9(5)8(15)7(13-10)11(16)17/h1-3,15H,(H,16,17)
InChIKeyIWZMBGHHIFNMRG-UHFFFAOYSA-N
XLogP2.96
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.14
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
7-chloro-3-thiophen-2-yl-1,2-benzoxazol-6-ol
CID 173447007
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
2-bromo-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106510216
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
3-[(3E)-hexa-1,3,5-trien-3-yl]-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 118528210
5-(3-methylbut-2-enoylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 142773910
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11471260
2-amino-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271730
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
6,7-dimethoxy-3-thiophen-2-yl-1,2-benzoxazole
CID 15750360

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid (CID 123447302) is 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid is O=C(O)c1nc(I)c2c(-c3cccs3)noc2c1O.
What is the InChIKey of 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is IWZMBGHHIFNMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5IN2O4S/c12-10-5-6(4-2-1-3-19-4)14-18-9(5)8(15)7(13-10)11(16)17/h1-3,15H,(H,16,17).
What are the key properties of 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid?
7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 388.14 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4-iodo-3-thiophen-2-yl-[1,2]oxazolo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 123447302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).