5-fluoro-3-iodo-1H-indole-2-carboxylate

C9H4FINO2- — CID 22097771

IUPAC5-fluoro-3-iodo-1H-indole-2-carboxylate
SMILESO=C([O-])c1[nH]c2ccc(F)cc2c1I
InChIInChI=1S/C9H5FINO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14)/p-1
InChIKeyIHNJWNHFOXRJQS-UHFFFAOYSA-M
MW304.04 g/mol
LogP1.28
Rot. Bonds1

About 5-fluoro-3-iodo-1H-indole-2-carboxylate

5-fluoro-3-iodo-1H-indole-2-carboxylate (PubChem CID 22097771) has the molecular formula C9H4FINO2- and a molecular weight of 304.04 g/mol. Its IUPAC name is 5-fluoro-3-iodo-1H-indole-2-carboxylate.

Molecular Properties

Compound Name5-fluoro-3-iodo-1H-indole-2-carboxylate
PubChem CID22097771
Molecular FormulaC9H4FINO2-
Molecular Weight304.04 g/mol
Exact Mass303.93
IUPAC Name5-fluoro-3-iodo-1H-indole-2-carboxylate
SMILESO=C([O-])c1[nH]c2ccc(F)cc2c1I
InChIInChI=1S/C9H5FINO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14)/p-1
InChIKeyIHNJWNHFOXRJQS-UHFFFAOYSA-M
XLogP1.28
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.04
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoro-3-iodo-1H-indole-2-carboxylate?
The IUPAC name of 5-fluoro-3-iodo-1H-indole-2-carboxylate (CID 22097771) is 5-fluoro-3-iodo-1H-indole-2-carboxylate.
What is the SMILES notation for 5-fluoro-3-iodo-1H-indole-2-carboxylate?
The canonical SMILES for 5-fluoro-3-iodo-1H-indole-2-carboxylate is O=C([O-])c1[nH]c2ccc(F)cc2c1I.
What is the InChIKey of 5-fluoro-3-iodo-1H-indole-2-carboxylate?
The InChIKey is IHNJWNHFOXRJQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H5FINO2/c10-4-1-2-6-5(3-4)7(11)8(12-6)9(13)14/h1-3,12H,(H,13,14)/p-1.
What are the key properties of 5-fluoro-3-iodo-1H-indole-2-carboxylate?
5-fluoro-3-iodo-1H-indole-2-carboxylate has a molecular weight of 304.04 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-iodo-1H-indole-2-carboxylate is sourced from PubChem (CID 22097771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).