5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid

C14H9FIN3O2 — CID 59140186

IUPAC5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cncn2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H9FIN3O2/c15-11-5-8(16)1-4-12(11)18-13-10(14(20)21)3-2-9-6-17-7-19(9)13/h1-7,18H,(H,20,21)
InChIKeyYFTJHXMDVHEEMS-UHFFFAOYSA-N
MW397.15 g/mol
LogP3.52
Rot. Bonds3

About 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid

5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 59140186) has the molecular formula C14H9FIN3O2 and a molecular weight of 397.15 g/mol. Its IUPAC name is 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID59140186
Molecular FormulaC14H9FIN3O2
Molecular Weight397.15 g/mol
Exact Mass396.97
IUPAC Name5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2cncn2c1Nc1ccc(I)cc1F
InChIInChI=1S/C14H9FIN3O2/c15-11-5-8(16)1-4-12(11)18-13-10(14(20)21)3-2-9-6-17-7-19(9)13/h1-7,18H,(H,20,21)
InChIKeyYFTJHXMDVHEEMS-UHFFFAOYSA-N
XLogP3.52
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.15
LogP ≤ 53.52
H-Bond Donors ≤ 52
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 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid (CID 59140186) is 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2cncn2c1Nc1ccc(I)cc1F.
What is the InChIKey of 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is YFTJHXMDVHEEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FIN3O2/c15-11-5-8(16)1-4-12(11)18-13-10(14(20)21)3-2-9-6-17-7-19(9)13/h1-7,18H,(H,20,21).
What are the key properties of 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid?
5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 397.15 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-iodoanilino)imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 59140186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).