7-fluoro-3-methyl-1H-indole

C9H8FN — CID 55287812

IUPAC7-fluoro-3-methyl-1H-indole
SMILESCc1c[nH]c2c(F)cccc12
InChIInChI=1S/C9H8FN/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5,11H,1H3
InChIKeyBFKQYSOWEAEHHN-UHFFFAOYSA-N
MW149.17 g/mol
LogP2.62
Rot. Bonds

About 7-fluoro-3-methyl-1H-indole

7-fluoro-3-methyl-1H-indole (PubChem CID 55287812) has the molecular formula C9H8FN and a molecular weight of 149.17 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1H-indole.

Molecular Properties

Compound Name7-fluoro-3-methyl-1H-indole
PubChem CID55287812
Molecular FormulaC9H8FN
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name7-fluoro-3-methyl-1H-indole
SMILESCc1c[nH]c2c(F)cccc12
InChIInChI=1S/C9H8FN/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5,11H,1H3
InChIKeyBFKQYSOWEAEHHN-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 7-fluoro-3-methyl-1H-indole?
The IUPAC name of 7-fluoro-3-methyl-1H-indole (CID 55287812) is 7-fluoro-3-methyl-1H-indole.
What is the SMILES notation for 7-fluoro-3-methyl-1H-indole?
The canonical SMILES for 7-fluoro-3-methyl-1H-indole is Cc1c[nH]c2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-1H-indole?
The InChIKey is BFKQYSOWEAEHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-5,11H,1H3.
What are the key properties of 7-fluoro-3-methyl-1H-indole?
7-fluoro-3-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 7-fluoro-3-methyl-1H-indole is sourced from PubChem (CID 55287812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).