5-bromo-6-fluoro-3-methyl-1H-indole

C9H7BrFN — CID 118084336

IUPAC5-bromo-6-fluoro-3-methyl-1H-indole
SMILESCc1c[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C9H7BrFN/c1-5-4-12-9-3-8(11)7(10)2-6(5)9/h2-4,12H,1H3
InChIKeyRRNSTBQEQOKDRA-UHFFFAOYSA-N
MW228.06 g/mol
LogP3.38
Rot. Bonds

About 5-bromo-6-fluoro-3-methyl-1H-indole

5-bromo-6-fluoro-3-methyl-1H-indole (PubChem CID 118084336) has the molecular formula C9H7BrFN and a molecular weight of 228.06 g/mol. Its IUPAC name is 5-bromo-6-fluoro-3-methyl-1H-indole.

Molecular Properties

Compound Name5-bromo-6-fluoro-3-methyl-1H-indole
PubChem CID118084336
Molecular FormulaC9H7BrFN
Molecular Weight228.06 g/mol
Exact Mass226.97
IUPAC Name5-bromo-6-fluoro-3-methyl-1H-indole
SMILESCc1c[nH]c2cc(F)c(Br)cc12
InChIInChI=1S/C9H7BrFN/c1-5-4-12-9-3-8(11)7(10)2-6(5)9/h2-4,12H,1H3
InChIKeyRRNSTBQEQOKDRA-UHFFFAOYSA-N
XLogP3.38
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-3-methyl-1H-indole?
The IUPAC name of 5-bromo-6-fluoro-3-methyl-1H-indole (CID 118084336) is 5-bromo-6-fluoro-3-methyl-1H-indole.
What is the SMILES notation for 5-bromo-6-fluoro-3-methyl-1H-indole?
The canonical SMILES for 5-bromo-6-fluoro-3-methyl-1H-indole is Cc1c[nH]c2cc(F)c(Br)cc12.
What is the InChIKey of 5-bromo-6-fluoro-3-methyl-1H-indole?
The InChIKey is RRNSTBQEQOKDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN/c1-5-4-12-9-3-8(11)7(10)2-6(5)9/h2-4,12H,1H3.
What are the key properties of 5-bromo-6-fluoro-3-methyl-1H-indole?
5-bromo-6-fluoro-3-methyl-1H-indole has a molecular weight of 228.06 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-3-methyl-1H-indole is sourced from PubChem (CID 118084336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).