5-fluoro-2-methyl-1H-indole

C9H8FN — CID 2778715

IUPAC5-fluoro-2-methyl-1H-indole
SMILESCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C9H8FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3
InChIKeyJJIUISYYTFDATN-UHFFFAOYSA-N
MW149.17 g/mol
LogP2.62
Rot. Bonds

About 5-fluoro-2-methyl-1H-indole

5-fluoro-2-methyl-1H-indole (PubChem CID 2778715) has the molecular formula C9H8FN and a molecular weight of 149.17 g/mol. Its IUPAC name is 5-fluoro-2-methyl-1H-indole.

Molecular Properties

Compound Name5-fluoro-2-methyl-1H-indole
PubChem CID2778715
Molecular FormulaC9H8FN
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name5-fluoro-2-methyl-1H-indole
SMILESCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C9H8FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3
InChIKeyJJIUISYYTFDATN-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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Related Compounds

Indole
CID 798
N,N-Dimethyltryptamine
CID 6089
Skatole
CID 6736
Carbazole
CID 6854
Tryptamine
CID 1150
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Tetrahydro-beta-carboline
CID 107838
Alpha-Ethyltryptamine
CID 8367
N,N-Diethyltryptamine
CID 6090
2-Methylindole
CID 7224

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-1H-indole?
The IUPAC name of 5-fluoro-2-methyl-1H-indole (CID 2778715) is 5-fluoro-2-methyl-1H-indole.
What is the SMILES notation for 5-fluoro-2-methyl-1H-indole?
The canonical SMILES for 5-fluoro-2-methyl-1H-indole is Cc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-1H-indole?
The InChIKey is JJIUISYYTFDATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3.
What are the key properties of 5-fluoro-2-methyl-1H-indole?
5-fluoro-2-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-2-methyl-1H-indole is sourced from PubChem (CID 2778715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).