2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile

C11H8FN3 — CID 10130402

IUPAC2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)[nH]c1N
InChIInChI=1S/C11H8FN3/c12-9-3-1-7(2-4-9)10-5-8(6-13)11(14)15-10/h1-5,15H,14H2
InChIKeyYPQIJXIQWCLKJO-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.27
Rot. Bonds1

About 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile

2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 10130402) has the molecular formula C11H8FN3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile
PubChem CID10130402
Molecular FormulaC11H8FN3
Molecular Weight201.20 g/mol
Exact Mass201.07
IUPAC Name2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)[nH]c1N
InChIInChI=1S/C11H8FN3/c12-9-3-1-7(2-4-9)10-5-8(6-13)11(14)15-10/h1-5,15H,14H2
InChIKeyYPQIJXIQWCLKJO-UHFFFAOYSA-N
XLogP2.27
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile (CID 10130402) is 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)[nH]c1N.
What is the InChIKey of 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is YPQIJXIQWCLKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3/c12-9-3-1-7(2-4-9)10-5-8(6-13)11(14)15-10/h1-5,15H,14H2.
What are the key properties of 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile?
2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 201.20 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-fluorophenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 10130402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).