2-amino-4-(2-fluorophenyl)benzonitrile

C13H9FN2 — CID 46314173

IUPAC2-amino-4-(2-fluorophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2F)cc1N
InChIInChI=1S/C13H9FN2/c14-12-4-2-1-3-11(12)9-5-6-10(8-15)13(16)7-9/h1-7H,16H2
InChIKeyTYZMPNRIAOSRTM-UHFFFAOYSA-N
MW212.23 g/mol
LogP2.95
Rot. Bonds1

About 2-amino-4-(2-fluorophenyl)benzonitrile

2-amino-4-(2-fluorophenyl)benzonitrile (PubChem CID 46314173) has the molecular formula C13H9FN2 and a molecular weight of 212.23 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)benzonitrile.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)benzonitrile
PubChem CID46314173
Molecular FormulaC13H9FN2
Molecular Weight212.23 g/mol
Exact Mass212.07
IUPAC Name2-amino-4-(2-fluorophenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccccc2F)cc1N
InChIInChI=1S/C13H9FN2/c14-12-4-2-1-3-11(12)9-5-6-10(8-15)13(16)7-9/h1-7H,16H2
InChIKeyTYZMPNRIAOSRTM-UHFFFAOYSA-N
XLogP2.95
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluorophenyl)benzonitrile?
The IUPAC name of 2-amino-4-(2-fluorophenyl)benzonitrile (CID 46314173) is 2-amino-4-(2-fluorophenyl)benzonitrile.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)benzonitrile?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)benzonitrile is N#Cc1ccc(-c2ccccc2F)cc1N.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)benzonitrile?
The InChIKey is TYZMPNRIAOSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2/c14-12-4-2-1-3-11(12)9-5-6-10(8-15)13(16)7-9/h1-7H,16H2.
What are the key properties of 2-amino-4-(2-fluorophenyl)benzonitrile?
2-amino-4-(2-fluorophenyl)benzonitrile has a molecular weight of 212.23 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluorophenyl)benzonitrile is sourced from PubChem (CID 46314173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).