2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile

C15H10FN3 — CID 24906173

IUPAC2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile
SMILESCc1cc(-c2ccc(F)cc2)c(C#N)c(N)c1C#N
InChIInChI=1S/C15H10FN3/c1-9-6-12(10-2-4-11(16)5-3-10)14(8-18)15(19)13(9)7-17/h2-6H,19H2,1H3
InChIKeyGPBCARFYJKJACV-UHFFFAOYSA-N
MW251.26 g/mol
LogP3.13
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile

2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile (PubChem CID 24906173) has the molecular formula C15H10FN3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile
PubChem CID24906173
Molecular FormulaC15H10FN3
Molecular Weight251.26 g/mol
Exact Mass251.09
IUPAC Name2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile
SMILESCc1cc(-c2ccc(F)cc2)c(C#N)c(N)c1C#N
InChIInChI=1S/C15H10FN3/c1-9-6-12(10-2-4-11(16)5-3-10)14(8-18)15(19)13(9)7-17/h2-6H,19H2,1H3
InChIKeyGPBCARFYJKJACV-UHFFFAOYSA-N
XLogP3.13
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 53.13
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 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile (CID 24906173) is 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile is Cc1cc(-c2ccc(F)cc2)c(C#N)c(N)c1C#N.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile?
The InChIKey is GPBCARFYJKJACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3/c1-9-6-12(10-2-4-11(16)5-3-10)14(8-18)15(19)13(9)7-17/h2-6H,19H2,1H3.
What are the key properties of 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile?
2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile has a molecular weight of 251.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)-6-methylbenzene-1,3-dicarbonitrile is sourced from PubChem (CID 24906173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).