5-fluoro-1H-indole-6-carbonitrile

C9H5FN2 — CID 67025317

IUPAC5-fluoro-1H-indole-6-carbonitrile
SMILESN#Cc1cc2[nH]ccc2cc1F
InChIInChI=1S/C9H5FN2/c10-8-3-6-1-2-12-9(6)4-7(8)5-11/h1-4,12H
InChIKeyGFDDOZARNIAOAT-UHFFFAOYSA-N
MW160.15 g/mol
LogP2.18
Rot. Bonds

About 5-fluoro-1H-indole-6-carbonitrile

5-fluoro-1H-indole-6-carbonitrile (PubChem CID 67025317) has the molecular formula C9H5FN2 and a molecular weight of 160.15 g/mol. Its IUPAC name is 5-fluoro-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name5-fluoro-1H-indole-6-carbonitrile
PubChem CID67025317
Molecular FormulaC9H5FN2
Molecular Weight160.15 g/mol
Exact Mass160.04
IUPAC Name5-fluoro-1H-indole-6-carbonitrile
SMILESN#Cc1cc2[nH]ccc2cc1F
InChIInChI=1S/C9H5FN2/c10-8-3-6-1-2-12-9(6)4-7(8)5-11/h1-4,12H
InChIKeyGFDDOZARNIAOAT-UHFFFAOYSA-N
XLogP2.18
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.15
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-indole-6-carbonitrile?
The IUPAC name of 5-fluoro-1H-indole-6-carbonitrile (CID 67025317) is 5-fluoro-1H-indole-6-carbonitrile.
What is the SMILES notation for 5-fluoro-1H-indole-6-carbonitrile?
The canonical SMILES for 5-fluoro-1H-indole-6-carbonitrile is N#Cc1cc2[nH]ccc2cc1F.
What is the InChIKey of 5-fluoro-1H-indole-6-carbonitrile?
The InChIKey is GFDDOZARNIAOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2/c10-8-3-6-1-2-12-9(6)4-7(8)5-11/h1-4,12H.
What are the key properties of 5-fluoro-1H-indole-6-carbonitrile?
5-fluoro-1H-indole-6-carbonitrile has a molecular weight of 160.15 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-indole-6-carbonitrile is sourced from PubChem (CID 67025317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).