2-fluoro-5-(1H-indol-4-yl)benzonitrile

C15H9FN2 — CID 22561837

IUPAC2-fluoro-5-(1H-indol-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc3[nH]ccc23)ccc1F
InChIInChI=1S/C15H9FN2/c16-14-5-4-10(8-11(14)9-17)12-2-1-3-15-13(12)6-7-18-15/h1-8,18H
InChIKeyMBWFTIINEOTJOS-UHFFFAOYSA-N
MW236.25 g/mol
LogP3.85
Rot. Bonds1

About 2-fluoro-5-(1H-indol-4-yl)benzonitrile

2-fluoro-5-(1H-indol-4-yl)benzonitrile (PubChem CID 22561837) has the molecular formula C15H9FN2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-fluoro-5-(1H-indol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(1H-indol-4-yl)benzonitrile
PubChem CID22561837
Molecular FormulaC15H9FN2
Molecular Weight236.25 g/mol
Exact Mass236.07
IUPAC Name2-fluoro-5-(1H-indol-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc3[nH]ccc23)ccc1F
InChIInChI=1S/C15H9FN2/c16-14-5-4-10(8-11(14)9-17)12-2-1-3-15-13(12)6-7-18-15/h1-8,18H
InChIKeyMBWFTIINEOTJOS-UHFFFAOYSA-N
XLogP3.85
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1H-indol-4-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(1H-indol-4-yl)benzonitrile (CID 22561837) is 2-fluoro-5-(1H-indol-4-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(1H-indol-4-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(1H-indol-4-yl)benzonitrile is N#Cc1cc(-c2cccc3[nH]ccc23)ccc1F.
What is the InChIKey of 2-fluoro-5-(1H-indol-4-yl)benzonitrile?
The InChIKey is MBWFTIINEOTJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2/c16-14-5-4-10(8-11(14)9-17)12-2-1-3-15-13(12)6-7-18-15/h1-8,18H.
What are the key properties of 2-fluoro-5-(1H-indol-4-yl)benzonitrile?
2-fluoro-5-(1H-indol-4-yl)benzonitrile has a molecular weight of 236.25 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1H-indol-4-yl)benzonitrile is sourced from PubChem (CID 22561837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).