2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile

C13H7FN6 — CID 167211476

IUPAC2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C13H7FN6/c14-10-7-17-13(18-8-10)9-1-3-11(4-2-9)19-20-12(5-15)6-16/h1-4,7-8,19H
InChIKeyBVRBIUAJCRIKHW-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.10
Rot. Bonds3

About 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile

2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 167211476) has the molecular formula C13H7FN6 and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID167211476
Molecular FormulaC13H7FN6
Molecular Weight266.24 g/mol
Exact Mass266.07
IUPAC Name2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C13H7FN6/c14-10-7-17-13(18-8-10)9-1-3-11(4-2-9)19-20-12(5-15)6-16/h1-4,7-8,19H
InChIKeyBVRBIUAJCRIKHW-UHFFFAOYSA-N
XLogP2.10
TPSA97.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile (CID 167211476) is 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(-c2ncc(F)cn2)cc1.
What is the InChIKey of 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is BVRBIUAJCRIKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN6/c14-10-7-17-13(18-8-10)9-1-3-11(4-2-9)19-20-12(5-15)6-16/h1-4,7-8,19H.
What are the key properties of 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile?
2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 266.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-fluoropyrimidin-2-yl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 167211476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).