4-bromo-6-fluoro-2-iodo-1H-indole

C8H4BrFIN — CID 130338225

IUPAC4-bromo-6-fluoro-2-iodo-1H-indole
SMILESFc1cc(Br)c2cc(I)[nH]c2c1
InChIInChI=1S/C8H4BrFIN/c9-6-1-4(10)2-7-5(6)3-8(11)12-7/h1-3,12H
InChIKeyWMUHRURBAGICBO-UHFFFAOYSA-N
MW339.93 g/mol
LogP3.67
Rot. Bonds

About 4-bromo-6-fluoro-2-iodo-1H-indole

4-bromo-6-fluoro-2-iodo-1H-indole (PubChem CID 130338225) has the molecular formula C8H4BrFIN and a molecular weight of 339.93 g/mol. Its IUPAC name is 4-bromo-6-fluoro-2-iodo-1H-indole.

Molecular Properties

Compound Name4-bromo-6-fluoro-2-iodo-1H-indole
PubChem CID130338225
Molecular FormulaC8H4BrFIN
Molecular Weight339.93 g/mol
Exact Mass338.86
IUPAC Name4-bromo-6-fluoro-2-iodo-1H-indole
SMILESFc1cc(Br)c2cc(I)[nH]c2c1
InChIInChI=1S/C8H4BrFIN/c9-6-1-4(10)2-7-5(6)3-8(11)12-7/h1-3,12H
InChIKeyWMUHRURBAGICBO-UHFFFAOYSA-N
XLogP3.67
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.93
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,6-Dibromocarbazole
CID 274874
2,7-Dibromocarbazole
CID 11151503
6-Bromoindole
CID 676493
6-Bromo-1,2,3,4-tetrahydrocarbazole
CID 268877
3-Bromocarbazole
CID 252446
4-Bromoindole
CID 676494
5-Fluoro-2-methylindole
CID 2778715
1-Bromo-9H-carbazole
CID 11230335
3-Bromo-1h-indole
CID 2763277
5-bromo-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 44264094
5-Bromo-4,9-dihydro-3H-beta-carboline
CID 44264263
7-Bromo-4,9-dihydro-3H-beta-carboline
CID 44264453

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-2-iodo-1H-indole?
The IUPAC name of 4-bromo-6-fluoro-2-iodo-1H-indole (CID 130338225) is 4-bromo-6-fluoro-2-iodo-1H-indole.
What is the SMILES notation for 4-bromo-6-fluoro-2-iodo-1H-indole?
The canonical SMILES for 4-bromo-6-fluoro-2-iodo-1H-indole is Fc1cc(Br)c2cc(I)[nH]c2c1.
What is the InChIKey of 4-bromo-6-fluoro-2-iodo-1H-indole?
The InChIKey is WMUHRURBAGICBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFIN/c9-6-1-4(10)2-7-5(6)3-8(11)12-7/h1-3,12H.
What are the key properties of 4-bromo-6-fluoro-2-iodo-1H-indole?
4-bromo-6-fluoro-2-iodo-1H-indole has a molecular weight of 339.93 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-2-iodo-1H-indole is sourced from PubChem (CID 130338225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).