5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile

C13H11FN4 — CID 114834392

IUPAC5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile
SMILESCc1nc(NN)c(C#N)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN4/c1-8-12(9-2-4-11(14)5-3-9)6-10(7-15)13(17-8)18-16/h2-6H,16H2,1H3,(H,17,18)
InChIKeyVZDXJVSSJWNUSG-UHFFFAOYSA-N
MW242.26 g/mol
LogP2.35
Rot. Bonds2

About 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile

5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile (PubChem CID 114834392) has the molecular formula C13H11FN4 and a molecular weight of 242.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile
PubChem CID114834392
Molecular FormulaC13H11FN4
Molecular Weight242.26 g/mol
Exact Mass242.10
IUPAC Name5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile
SMILESCc1nc(NN)c(C#N)cc1-c1ccc(F)cc1
InChIInChI=1S/C13H11FN4/c1-8-12(9-2-4-11(14)5-3-9)6-10(7-15)13(17-8)18-16/h2-6H,16H2,1H3,(H,17,18)
InChIKeyVZDXJVSSJWNUSG-UHFFFAOYSA-N
XLogP2.35
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile (CID 114834392) is 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile is Cc1nc(NN)c(C#N)cc1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile?
The InChIKey is VZDXJVSSJWNUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4/c1-8-12(9-2-4-11(14)5-3-9)6-10(7-15)13(17-8)18-16/h2-6H,16H2,1H3,(H,17,18).
What are the key properties of 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile?
5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile has a molecular weight of 242.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-hydrazinyl-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 114834392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).