4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid

C9H5IN2O3S — CID 116649335

IUPAC4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ncc(I)cn2)cs1
InChIInChI=1S/C9H5IN2O3S/c10-5-2-11-9(12-3-5)15-6-1-7(8(13)14)16-4-6/h1-4H,(H,13,14)
InChIKeyRWPQDDSZRMFHIG-UHFFFAOYSA-N
MW348.12 g/mol
LogP2.63
Rot. Bonds3

About 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid

4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid (PubChem CID 116649335) has the molecular formula C9H5IN2O3S and a molecular weight of 348.12 g/mol. Its IUPAC name is 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid
PubChem CID116649335
Molecular FormulaC9H5IN2O3S
Molecular Weight348.12 g/mol
Exact Mass347.91
IUPAC Name4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid
SMILESO=C(O)c1cc(Oc2ncc(I)cn2)cs1
InChIInChI=1S/C9H5IN2O3S/c10-5-2-11-9(12-3-5)15-6-1-7(8(13)14)16-4-6/h1-4H,(H,13,14)
InChIKeyRWPQDDSZRMFHIG-UHFFFAOYSA-N
XLogP2.63
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(5-iodopyrimidin-2-yl)sulfanylthiophene-2-carboxylic acid
CID 116648319
4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437578
4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
CID 66438899
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436717
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436488
4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437149
4-(4-bromo-3,5-dimethylphenoxy)thiophene-2-carboxylic acid
CID 107724907
4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436274
4-(1-propylpyrazol-4-yl)oxythiophene-2-carboxylic acid
CID 116801908
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437368
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
CID 113404010

Frequently Asked Questions

What is the IUPAC name of 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid (CID 116649335) is 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid is O=C(O)c1cc(Oc2ncc(I)cn2)cs1.
What is the InChIKey of 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid?
The InChIKey is RWPQDDSZRMFHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5IN2O3S/c10-5-2-11-9(12-3-5)15-6-1-7(8(13)14)16-4-6/h1-4H,(H,13,14).
What are the key properties of 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid?
4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid has a molecular weight of 348.12 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 116649335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).