5-chloro-7-fluoro-2-iodo-1H-indole

C8H4ClFIN — CID 130052359

IUPAC5-chloro-7-fluoro-2-iodo-1H-indole
SMILESFc1cc(Cl)cc2cc(I)[nH]c12
InChIInChI=1S/C8H4ClFIN/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,12H
InChIKeyZJRGVDRQQQRGHM-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.57
Rot. Bonds

About 5-chloro-7-fluoro-2-iodo-1H-indole

5-chloro-7-fluoro-2-iodo-1H-indole (PubChem CID 130052359) has the molecular formula C8H4ClFIN and a molecular weight of 295.48 g/mol. Its IUPAC name is 5-chloro-7-fluoro-2-iodo-1H-indole.

Molecular Properties

Compound Name5-chloro-7-fluoro-2-iodo-1H-indole
PubChem CID130052359
Molecular FormulaC8H4ClFIN
Molecular Weight295.48 g/mol
Exact Mass294.91
IUPAC Name5-chloro-7-fluoro-2-iodo-1H-indole
SMILESFc1cc(Cl)cc2cc(I)[nH]c12
InChIInChI=1S/C8H4ClFIN/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,12H
InChIKeyZJRGVDRQQQRGHM-UHFFFAOYSA-N
XLogP3.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.57
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 5-chloro-7-fluoro-2-iodo-1H-indole?
The IUPAC name of 5-chloro-7-fluoro-2-iodo-1H-indole (CID 130052359) is 5-chloro-7-fluoro-2-iodo-1H-indole.
What is the SMILES notation for 5-chloro-7-fluoro-2-iodo-1H-indole?
The canonical SMILES for 5-chloro-7-fluoro-2-iodo-1H-indole is Fc1cc(Cl)cc2cc(I)[nH]c12.
What is the InChIKey of 5-chloro-7-fluoro-2-iodo-1H-indole?
The InChIKey is ZJRGVDRQQQRGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFIN/c9-5-1-4-2-7(11)12-8(4)6(10)3-5/h1-3,12H.
What are the key properties of 5-chloro-7-fluoro-2-iodo-1H-indole?
5-chloro-7-fluoro-2-iodo-1H-indole has a molecular weight of 295.48 g/mol, XLogP of 3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-fluoro-2-iodo-1H-indole is sourced from PubChem (CID 130052359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).