4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid

C14H8INO3S — CID 11058385

IUPAC4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
InChIInChI=1S/C14H8INO3S/c15-8-1-3-9(4-2-8)19-11-6-16-7-13-10(11)5-12(20-13)14(17)18/h1-7H,(H,17,18)
InChIKeyNANXSYXGMOHIFS-UHFFFAOYSA-N
MW397.19 g/mol
LogP4.39
Rot. Bonds3

About 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid

4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 11058385) has the molecular formula C14H8INO3S and a molecular weight of 397.19 g/mol. Its IUPAC name is 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID11058385
Molecular FormulaC14H8INO3S
Molecular Weight397.19 g/mol
Exact Mass396.93
IUPAC Name4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Oc3ccc(I)cc3)cncc2s1
InChIInChI=1S/C14H8INO3S/c15-8-1-3-9(4-2-8)19-11-6-16-7-13-10(11)5-12(20-13)14(17)18/h1-7H,(H,17,18)
InChIKeyNANXSYXGMOHIFS-UHFFFAOYSA-N
XLogP4.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.19
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid (CID 11058385) is 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1cc2c(Oc3ccc(I)cc3)cncc2s1.
What is the InChIKey of 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is NANXSYXGMOHIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8INO3S/c15-8-1-3-9(4-2-8)19-11-6-16-7-13-10(11)5-12(20-13)14(17)18/h1-7H,(H,17,18).
What are the key properties of 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid?
4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 397.19 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenoxy)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 11058385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).