[6-(4-fluorophenyl)pyridazin-3-yl]cyanamide

C11H7FN4 — CID 116971689

IUPAC[6-(4-fluorophenyl)pyridazin-3-yl]cyanamide
SMILESN#CNc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C11H7FN4/c12-9-3-1-8(2-4-9)10-5-6-11(14-7-13)16-15-10/h1-6H,(H,14,16)
InChIKeyLHRSPDSQHGTCOX-UHFFFAOYSA-N
MW214.20 g/mol
LogP2.18
Rot. Bonds2

About [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide

[6-(4-fluorophenyl)pyridazin-3-yl]cyanamide (PubChem CID 116971689) has the molecular formula C11H7FN4 and a molecular weight of 214.20 g/mol. Its IUPAC name is [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide.

Molecular Properties

Compound Name[6-(4-fluorophenyl)pyridazin-3-yl]cyanamide
PubChem CID116971689
Molecular FormulaC11H7FN4
Molecular Weight214.20 g/mol
Exact Mass214.07
IUPAC Name[6-(4-fluorophenyl)pyridazin-3-yl]cyanamide
SMILESN#CNc1ccc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C11H7FN4/c12-9-3-1-8(2-4-9)10-5-6-11(14-7-13)16-15-10/h1-6H,(H,14,16)
InChIKeyLHRSPDSQHGTCOX-UHFFFAOYSA-N
XLogP2.18
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide?
The IUPAC name of [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide (CID 116971689) is [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide.
What is the SMILES notation for [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide?
The canonical SMILES for [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide is N#CNc1ccc(-c2ccc(F)cc2)nn1.
What is the InChIKey of [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide?
The InChIKey is LHRSPDSQHGTCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN4/c12-9-3-1-8(2-4-9)10-5-6-11(14-7-13)16-15-10/h1-6H,(H,14,16).
What are the key properties of [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide?
[6-(4-fluorophenyl)pyridazin-3-yl]cyanamide has a molecular weight of 214.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)pyridazin-3-yl]cyanamide is sourced from PubChem (CID 116971689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).