6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one

C11H8ClFN4O — CID 91309567

IUPAC6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(/N=N/Cc2ccccc2Cl)[nH]1
InChIInChI=1S/C11H8ClFN4O/c12-8-4-2-1-3-7(8)5-15-17-10-9(13)6-14-11(18)16-10/h1-4,6H,5H2,(H,14,16,18)/b17-15+
InChIKeyIEAZJDFSSOYWDI-BMRADRMJSA-N
MW266.66 g/mol
LogP2.85
Rot. Bonds3

About 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one

6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one (PubChem CID 91309567) has the molecular formula C11H8ClFN4O and a molecular weight of 266.66 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one
PubChem CID91309567
Molecular FormulaC11H8ClFN4O
Molecular Weight266.66 g/mol
Exact Mass266.04
IUPAC Name6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one
SMILESO=c1ncc(F)c(/N=N/Cc2ccccc2Cl)[nH]1
InChIInChI=1S/C11H8ClFN4O/c12-8-4-2-1-3-7(8)5-15-17-10-9(13)6-14-11(18)16-10/h1-4,6H,5H2,(H,14,16,18)/b17-15+
InChIKeyIEAZJDFSSOYWDI-BMRADRMJSA-N
XLogP2.85
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one (CID 91309567) is 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one is O=c1ncc(F)c(/N=N/Cc2ccccc2Cl)[nH]1.
What is the InChIKey of 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one?
The InChIKey is IEAZJDFSSOYWDI-BMRADRMJSA-N. The full InChI is InChI=1S/C11H8ClFN4O/c12-8-4-2-1-3-7(8)5-15-17-10-9(13)6-14-11(18)16-10/h1-4,6H,5H2,(H,14,16,18)/b17-15+.
What are the key properties of 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one?
6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one has a molecular weight of 266.66 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyldiazenyl]-5-fluoro-1H-pyrimidin-2-one is sourced from PubChem (CID 91309567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).