4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile

C11H8FN5O — CID 136753137

IUPAC4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)nc(NN)[nH]c1=O
InChIInChI=1S/C11H8FN5O/c12-7-3-1-6(2-4-7)9-8(5-13)10(18)16-11(15-9)17-14/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyLKSXXPULOCEJLJ-UHFFFAOYSA-N
MW245.22 g/mol
LogP0.73
Rot. Bonds2

About 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile

4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 136753137) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID136753137
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)nc(NN)[nH]c1=O
InChIInChI=1S/C11H8FN5O/c12-7-3-1-6(2-4-7)9-8(5-13)10(18)16-11(15-9)17-14/h1-4H,14H2,(H2,15,16,17,18)
InChIKeyLKSXXPULOCEJLJ-UHFFFAOYSA-N
XLogP0.73
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}, {'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 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile (CID 136753137) is 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccc(F)cc2)nc(NN)[nH]c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is LKSXXPULOCEJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-7-3-1-6(2-4-7)9-8(5-13)10(18)16-11(15-9)17-14/h1-4H,14H2,(H2,15,16,17,18).
What are the key properties of 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile?
4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 245.22 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-hydrazinyl-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 136753137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).