4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile

C12H10FN5O — CID 53230973

IUPAC4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
SMILESCn1c(NN)nc(-c2ccccc2F)c(C#N)c1=O
InChIInChI=1S/C12H10FN5O/c1-18-11(19)8(6-14)10(16-12(18)17-15)7-4-2-3-5-9(7)13/h2-5H,15H2,1H3,(H,16,17)
InChIKeySQCUAPPHMSPTLF-UHFFFAOYSA-N
MW259.24 g/mol
LogP0.74
Rot. Bonds2

About 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile

4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile (PubChem CID 53230973) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
PubChem CID53230973
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile
SMILESCn1c(NN)nc(-c2ccccc2F)c(C#N)c1=O
InChIInChI=1S/C12H10FN5O/c1-18-11(19)8(6-14)10(16-12(18)17-15)7-4-2-3-5-9(7)13/h2-5H,15H2,1H3,(H,16,17)
InChIKeySQCUAPPHMSPTLF-UHFFFAOYSA-N
XLogP0.74
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The IUPAC name of 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile (CID 53230973) is 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile is Cn1c(NN)nc(-c2ccccc2F)c(C#N)c1=O.
What is the InChIKey of 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
The InChIKey is SQCUAPPHMSPTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-18-11(19)8(6-14)10(16-12(18)17-15)7-4-2-3-5-9(7)13/h2-5H,15H2,1H3,(H,16,17).
What are the key properties of 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile?
4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile has a molecular weight of 259.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-hydrazinyl-1-methyl-6-oxopyrimidine-5-carbonitrile is sourced from PubChem (CID 53230973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).