1-ethyl-5-fluoroindole-7-carbonitrile

C11H9FN2 — CID 146488174

IUPAC1-ethyl-5-fluoroindole-7-carbonitrile
SMILESCCn1ccc2cc(F)cc(C#N)c21
InChIInChI=1S/C11H9FN2/c1-2-14-4-3-8-5-10(12)6-9(7-13)11(8)14/h3-6H,2H2,1H3
InChIKeySPOUZKJIVGCKIW-UHFFFAOYSA-N
MW188.20 g/mol
LogP2.67
Rot. Bonds1

About 1-ethyl-5-fluoroindole-7-carbonitrile

1-ethyl-5-fluoroindole-7-carbonitrile (PubChem CID 146488174) has the molecular formula C11H9FN2 and a molecular weight of 188.20 g/mol. Its IUPAC name is 1-ethyl-5-fluoroindole-7-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-fluoroindole-7-carbonitrile
PubChem CID146488174
Molecular FormulaC11H9FN2
Molecular Weight188.20 g/mol
Exact Mass188.07
IUPAC Name1-ethyl-5-fluoroindole-7-carbonitrile
SMILESCCn1ccc2cc(F)cc(C#N)c21
InChIInChI=1S/C11H9FN2/c1-2-14-4-3-8-5-10(12)6-9(7-13)11(8)14/h3-6H,2H2,1H3
InChIKeySPOUZKJIVGCKIW-UHFFFAOYSA-N
XLogP2.67
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoroindole-7-carbonitrile?
The IUPAC name of 1-ethyl-5-fluoroindole-7-carbonitrile (CID 146488174) is 1-ethyl-5-fluoroindole-7-carbonitrile.
What is the SMILES notation for 1-ethyl-5-fluoroindole-7-carbonitrile?
The canonical SMILES for 1-ethyl-5-fluoroindole-7-carbonitrile is CCn1ccc2cc(F)cc(C#N)c21.
What is the InChIKey of 1-ethyl-5-fluoroindole-7-carbonitrile?
The InChIKey is SPOUZKJIVGCKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2/c1-2-14-4-3-8-5-10(12)6-9(7-13)11(8)14/h3-6H,2H2,1H3.
What are the key properties of 1-ethyl-5-fluoroindole-7-carbonitrile?
1-ethyl-5-fluoroindole-7-carbonitrile has a molecular weight of 188.20 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoroindole-7-carbonitrile is sourced from PubChem (CID 146488174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).