3-bromo-7-fluoro-1-methylindole

C9H7BrFN — CID 154562151

IUPAC3-bromo-7-fluoro-1-methylindole
SMILESCn1cc(Br)c2cccc(F)c21
InChIInChI=1S/C9H7BrFN/c1-12-5-7(10)6-3-2-4-8(11)9(6)12/h2-5H,1H3
InChIKeyOCSKZKCJRDHKTD-UHFFFAOYSA-N
MW228.06 g/mol
LogP3.08
Rot. Bonds

About 3-bromo-7-fluoro-1-methylindole

3-bromo-7-fluoro-1-methylindole (PubChem CID 154562151) has the molecular formula C9H7BrFN and a molecular weight of 228.06 g/mol. Its IUPAC name is 3-bromo-7-fluoro-1-methylindole.

Molecular Properties

Compound Name3-bromo-7-fluoro-1-methylindole
PubChem CID154562151
Molecular FormulaC9H7BrFN
Molecular Weight228.06 g/mol
Exact Mass226.97
IUPAC Name3-bromo-7-fluoro-1-methylindole
SMILESCn1cc(Br)c2cccc(F)c21
InChIInChI=1S/C9H7BrFN/c1-12-5-7(10)6-3-2-4-8(11)9(6)12/h2-5H,1H3
InChIKeyOCSKZKCJRDHKTD-UHFFFAOYSA-N
XLogP3.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-1-methylindole?
The IUPAC name of 3-bromo-7-fluoro-1-methylindole (CID 154562151) is 3-bromo-7-fluoro-1-methylindole.
What is the SMILES notation for 3-bromo-7-fluoro-1-methylindole?
The canonical SMILES for 3-bromo-7-fluoro-1-methylindole is Cn1cc(Br)c2cccc(F)c21.
What is the InChIKey of 3-bromo-7-fluoro-1-methylindole?
The InChIKey is OCSKZKCJRDHKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFN/c1-12-5-7(10)6-3-2-4-8(11)9(6)12/h2-5H,1H3.
What are the key properties of 3-bromo-7-fluoro-1-methylindole?
3-bromo-7-fluoro-1-methylindole has a molecular weight of 228.06 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-1-methylindole is sourced from PubChem (CID 154562151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).