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

C14H8FIN2O2S — CID 66853447

IUPAC2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C14H8FIN2O2S/c15-9-6-7(16)3-4-10(9)18-13-11(14(19)20)8-2-1-5-17-12(8)21-13/h1-6,18H,(H,19,20)
InChIKeyVNVQCOLTWDGDES-UHFFFAOYSA-N
MW414.20 g/mol
LogP4.48
Rot. Bonds3

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

2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid (PubChem CID 66853447) has the molecular formula C14H8FIN2O2S and a molecular weight of 414.20 g/mol. Its IUPAC name is 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
PubChem CID66853447
Molecular FormulaC14H8FIN2O2S
Molecular Weight414.20 g/mol
Exact Mass413.93
IUPAC Name2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C14H8FIN2O2S/c15-9-6-7(16)3-4-10(9)18-13-11(14(19)20)8-2-1-5-17-12(8)21-13/h1-6,18H,(H,19,20)
InChIKeyVNVQCOLTWDGDES-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
4-Anilinothieno[2,3-b]pyridine-5-carboxylic acid
CID 44561819
4-(3-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
CID 44561821
4-(3-Fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid
CID 44561849
4-(4-Methylanilino)thieno[2,3-b]pyridine-5-carboxylic acid
CID 44561852
4-(4-Fluoroanilino)thieno[2,3-b]pyridine-5-carboxylic acid
CID 44561855
3-Amino-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 11680502
2-[3-[5-(2-Fluorophenyl)-2-pyridinyl]propanoylamino]thiophene-3-carboxylic acid
CID 16047821
Ethyl 2-[(2-fluoro-4-iodophenyl)amino]thieno[2,3-b]pyridine-3-carboxylate
CID 16678128
2-(2-fluoro-4-iodoanilino)-N-methylthieno[2,3-b]pyridine-3-carboxamide
CID 24739363
2-(2-fluoro-4-iodoanilino)-N,N-dimethylthieno[2,3-b]pyridine-3-carboxamide
CID 24739364
N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide
CID 24739536

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid (CID 66853447) is 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid is O=C(O)c1c(Nc2ccc(I)cc2F)sc2ncccc12.
What is the InChIKey of 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid?
The InChIKey is VNVQCOLTWDGDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8FIN2O2S/c15-9-6-7(16)3-4-10(9)18-13-11(14(19)20)8-2-1-5-17-12(8)21-13/h1-6,18H,(H,19,20).
What are the key properties of 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid?
2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-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 2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 66853447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).