5-fluoro-4-methyl-1H-indole

C9H8FN — CID 19848907

IUPAC5-fluoro-4-methyl-1H-indole
SMILESCc1c(F)ccc2[nH]ccc12
InChIInChI=1S/C9H8FN/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,1H3
InChIKeyLQWFBFDDRPYYTG-UHFFFAOYSA-N
MW149.17 g/mol
LogP2.62
Rot. Bonds

About 5-fluoro-4-methyl-1H-indole

5-fluoro-4-methyl-1H-indole (PubChem CID 19848907) has the molecular formula C9H8FN and a molecular weight of 149.17 g/mol. Its IUPAC name is 5-fluoro-4-methyl-1H-indole.

Molecular Properties

Compound Name5-fluoro-4-methyl-1H-indole
PubChem CID19848907
Molecular FormulaC9H8FN
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name5-fluoro-4-methyl-1H-indole
SMILESCc1c(F)ccc2[nH]ccc12
InChIInChI=1S/C9H8FN/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,1H3
InChIKeyLQWFBFDDRPYYTG-UHFFFAOYSA-N
XLogP2.62
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-1H-indole?
The IUPAC name of 5-fluoro-4-methyl-1H-indole (CID 19848907) is 5-fluoro-4-methyl-1H-indole.
What is the SMILES notation for 5-fluoro-4-methyl-1H-indole?
The canonical SMILES for 5-fluoro-4-methyl-1H-indole is Cc1c(F)ccc2[nH]ccc12.
What is the InChIKey of 5-fluoro-4-methyl-1H-indole?
The InChIKey is LQWFBFDDRPYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN/c1-6-7-4-5-11-9(7)3-2-8(6)10/h2-5,11H,1H3.
What are the key properties of 5-fluoro-4-methyl-1H-indole?
5-fluoro-4-methyl-1H-indole has a molecular weight of 149.17 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-1H-indole is sourced from PubChem (CID 19848907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).