5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

C11H7FN2 — CID 46908592

IUPAC5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c(-c2ccccc2F)c1
InChIInChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H
InChIKeyZDEFHFJZEDEKJO-UHFFFAOYSA-N
MW186.19 g/mol
LogP2.69
Rot. Bonds1

About 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile

5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 46908592) has the molecular formula C11H7FN2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
PubChem CID46908592
Molecular FormulaC11H7FN2
Molecular Weight186.19 g/mol
Exact Mass186.06
IUPAC Name5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1c[nH]c(-c2ccccc2F)c1
InChIInChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H
InChIKeyZDEFHFJZEDEKJO-UHFFFAOYSA-N
XLogP2.69
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile (CID 46908592) is 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile is N#Cc1c[nH]c(-c2ccccc2F)c1.
What is the InChIKey of 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is ZDEFHFJZEDEKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H.
What are the key properties of 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile?
5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 186.19 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 46908592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).