7-fluoro-3-iodo-1H-indole

C8H5FIN — CID 76846549

IUPAC7-fluoro-3-iodo-1H-indole
SMILESFc1cccc2c(I)c[nH]c12
InChIInChI=1S/C8H5FIN/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-4,11H
InChIKeyZAMOINCZZFKFKL-UHFFFAOYSA-N
MW261.04 g/mol
LogP2.91
Rot. Bonds

About 7-fluoro-3-iodo-1H-indole

7-fluoro-3-iodo-1H-indole (PubChem CID 76846549) has the molecular formula C8H5FIN and a molecular weight of 261.04 g/mol. Its IUPAC name is 7-fluoro-3-iodo-1H-indole.

Molecular Properties

Compound Name7-fluoro-3-iodo-1H-indole
PubChem CID76846549
Molecular FormulaC8H5FIN
Molecular Weight261.04 g/mol
Exact Mass260.95
IUPAC Name7-fluoro-3-iodo-1H-indole
SMILESFc1cccc2c(I)c[nH]c12
InChIInChI=1S/C8H5FIN/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-4,11H
InChIKeyZAMOINCZZFKFKL-UHFFFAOYSA-N
XLogP2.91
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.04
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-iodo-1H-indole?
The IUPAC name of 7-fluoro-3-iodo-1H-indole (CID 76846549) is 7-fluoro-3-iodo-1H-indole.
What is the SMILES notation for 7-fluoro-3-iodo-1H-indole?
The canonical SMILES for 7-fluoro-3-iodo-1H-indole is Fc1cccc2c(I)c[nH]c12.
What is the InChIKey of 7-fluoro-3-iodo-1H-indole?
The InChIKey is ZAMOINCZZFKFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FIN/c9-6-3-1-2-5-7(10)4-11-8(5)6/h1-4,11H.
What are the key properties of 7-fluoro-3-iodo-1H-indole?
7-fluoro-3-iodo-1H-indole has a molecular weight of 261.04 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-iodo-1H-indole is sourced from PubChem (CID 76846549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).