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

C11H8FN3 — CID 114649862

IUPAC1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1cc(N)cc(F)c1
InChIInChI=1S/C11H8FN3/c12-8-4-9(14)6-11(5-8)15-3-1-2-10(15)7-13/h1-6H,14H2
InChIKeyHEAIOVCCJPTYRD-UHFFFAOYSA-N
MW201.20 g/mol
LogP2.07
Rot. Bonds1

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

1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile (PubChem CID 114649862) has the molecular formula C11H8FN3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile
PubChem CID114649862
Molecular FormulaC11H8FN3
Molecular Weight201.20 g/mol
Exact Mass201.07
IUPAC Name1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile
SMILESN#Cc1cccn1-c1cc(N)cc(F)c1
InChIInChI=1S/C11H8FN3/c12-8-4-9(14)6-11(5-8)15-3-1-2-10(15)7-13/h1-6H,14H2
InChIKeyHEAIOVCCJPTYRD-UHFFFAOYSA-N
XLogP2.07
TPSA54.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile?
The IUPAC name of 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile (CID 114649862) is 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile?
The canonical SMILES for 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile is N#Cc1cccn1-c1cc(N)cc(F)c1.
What is the InChIKey of 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile?
The InChIKey is HEAIOVCCJPTYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3/c12-8-4-9(14)6-11(5-8)15-3-1-2-10(15)7-13/h1-6H,14H2.
What are the key properties of 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile?
1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile has a molecular weight of 201.20 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-5-fluorophenyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 114649862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).