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

C14H8FIN2O2S — CID 68870359

IUPAC3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cnccc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H8FIN2O2S/c15-9-5-7(16)1-2-10(9)18-12-8-3-4-17-6-11(8)21-13(12)14(19)20/h1-6,18H,(H,19,20)
InChIKeyOQJZTOZMWHULOZ-UHFFFAOYSA-N
MW414.20 g/mol
LogP4.48
Rot. Bonds3

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

3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid (PubChem CID 68870359) has the molecular formula C14H8FIN2O2S and a molecular weight of 414.20 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid
PubChem CID68870359
Molecular FormulaC14H8FIN2O2S
Molecular Weight414.20 g/mol
Exact Mass413.93
IUPAC Name3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2cnccc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H8FIN2O2S/c15-9-5-7(16)1-2-10(9)18-12-8-3-4-17-6-11(8)21-13(12)14(19)20/h1-6,18H,(H,19,20)
InChIKeyOQJZTOZMWHULOZ-UHFFFAOYSA-N
XLogP4.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.20
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Aminothieno[2,3-b]pyridine-2-carboxylic acid
CID 323535
Thieno[2,3-c]pyridine-2-carboxylic acid,4-([1,1'-biphenyl]-4-ylamino)-
CID 25218747
Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 2764765
4-(p-Tolylthio)thieno[2,3-c]pyridine-2-carboxylic acid
CID 9948311
5-(4-Fluorophenyl)-3-(2-pyridylsulfonylamino)thiophene-2-carboxylic acid
CID 10339613
4-Fluorothieno[2,3-c]pyridine-2-carboxylic acid
CID 66760717
4-(3-Fluorophenyl)thieno[2,3-c]pyridine-2-carboxylic acid
CID 49830793
3-(1-Benzothiophen-2-ylmethylamino)pyridine-4-carboxylic acid
CID 127032036
3-(Pyridine-4-amido)thiophene-2-carboxylic acid
CID 16778444
Thieno(3,2-b)pyridine-3-carboxylic acid
CID 66520716
4-Anilinothieno[2,3-b]pyridine-5-carboxylic acid
CID 44561819
4-(3-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
CID 44561821

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid (CID 68870359) is 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid is O=C(O)c1sc2cnccc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is OQJZTOZMWHULOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2O2S/c15-9-5-7(16)1-2-10(9)18-12-8-3-4-17-6-11(8)21-13(12)14(19)20/h1-6,18H,(H,19,20).
What are the key properties of 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid?
3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 414.20 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)thieno[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 68870359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).