5-fluoro-3-methyl-2H-indole

C9H8FN — CID 95046937

IUPAC5-fluoro-3-methyl-2H-indole
SMILESCC1=c2cc(F)ccc2=NC1
InChIInChI=1S/C9H8FN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-4H,5H2,1H3
InChIKeyUIRAUHGOVQGJDE-UHFFFAOYSA-N
MW149.17 g/mol
LogP0.63
Rot. Bonds

About 5-fluoro-3-methyl-2H-indole

5-fluoro-3-methyl-2H-indole (PubChem CID 95046937) has the molecular formula C9H8FN and a molecular weight of 149.17 g/mol. Its IUPAC name is 5-fluoro-3-methyl-2H-indole.

Molecular Properties

Compound Name5-fluoro-3-methyl-2H-indole
PubChem CID95046937
Molecular FormulaC9H8FN
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name5-fluoro-3-methyl-2H-indole
SMILESCC1=c2cc(F)ccc2=NC1
InChIInChI=1S/C9H8FN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-4H,5H2,1H3
InChIKeyUIRAUHGOVQGJDE-UHFFFAOYSA-N
XLogP0.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-2H-indole?
The IUPAC name of 5-fluoro-3-methyl-2H-indole (CID 95046937) is 5-fluoro-3-methyl-2H-indole.
What is the SMILES notation for 5-fluoro-3-methyl-2H-indole?
The canonical SMILES for 5-fluoro-3-methyl-2H-indole is CC1=c2cc(F)ccc2=NC1.
What is the InChIKey of 5-fluoro-3-methyl-2H-indole?
The InChIKey is UIRAUHGOVQGJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-4H,5H2,1H3.
What are the key properties of 5-fluoro-3-methyl-2H-indole?
5-fluoro-3-methyl-2H-indole has a molecular weight of 149.17 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-2H-indole is sourced from PubChem (CID 95046937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).