[4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine

C11H9FN4 — CID 154945638

IUPAC[4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine
SMILESNN=Cc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C11H9FN4/c12-10-6-14-11(15-7-10)9-3-1-8(2-4-9)5-16-13/h1-7H,13H2
InChIKeyIIHUKXAUCFCQIW-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.58
Rot. Bonds2

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

[4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine (PubChem CID 154945638) has the molecular formula C11H9FN4 and a molecular weight of 216.22 g/mol. Its IUPAC name is [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine
PubChem CID154945638
Molecular FormulaC11H9FN4
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Name[4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine
SMILESNN=Cc1ccc(-c2ncc(F)cn2)cc1
InChIInChI=1S/C11H9FN4/c12-10-6-14-11(15-7-10)9-3-1-8(2-4-9)5-16-13/h1-7H,13H2
InChIKeyIIHUKXAUCFCQIW-UHFFFAOYSA-N
XLogP1.58
TPSA64.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine?
The IUPAC name of [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine (CID 154945638) is [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine.
What is the SMILES notation for [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine?
The canonical SMILES for [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine is NN=Cc1ccc(-c2ncc(F)cn2)cc1.
What is the InChIKey of [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine?
The InChIKey is IIHUKXAUCFCQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4/c12-10-6-14-11(15-7-10)9-3-1-8(2-4-9)5-16-13/h1-7H,13H2.
What are the key properties of [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine?
[4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine has a molecular weight of 216.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoropyrimidin-2-yl)phenyl]methylidenehydrazine is sourced from PubChem (CID 154945638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).