2-[(4-chlorophenyl)diazenyl]pyran-4-one

C11H7ClN2O2 — CID 139236737

IUPAC2-[(4-chlorophenyl)diazenyl]pyran-4-one
SMILESO=c1ccoc(/N=N/c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H7ClN2O2/c12-8-1-3-9(4-2-8)13-14-11-7-10(15)5-6-16-11/h1-7H/b14-13+
InChIKeyYOXHZLNABGMAGW-BUHFOSPRSA-N
MW234.64 g/mol
LogP3.71
Rot. Bonds2

About 2-[(4-chlorophenyl)diazenyl]pyran-4-one

2-[(4-chlorophenyl)diazenyl]pyran-4-one (PubChem CID 139236737) has the molecular formula C11H7ClN2O2 and a molecular weight of 234.64 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)diazenyl]pyran-4-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)diazenyl]pyran-4-one
PubChem CID139236737
Molecular FormulaC11H7ClN2O2
Molecular Weight234.64 g/mol
Exact Mass234.02
IUPAC Name2-[(4-chlorophenyl)diazenyl]pyran-4-one
SMILESO=c1ccoc(/N=N/c2ccc(Cl)cc2)c1
InChIInChI=1S/C11H7ClN2O2/c12-8-1-3-9(4-2-8)13-14-11-7-10(15)5-6-16-11/h1-7H/b14-13+
InChIKeyYOXHZLNABGMAGW-BUHFOSPRSA-N
XLogP3.71
TPSA54.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.64
LogP ≤ 53.71
H-Bond Donors ≤ 50
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 2-[(4-chlorophenyl)diazenyl]pyran-4-one?
The IUPAC name of 2-[(4-chlorophenyl)diazenyl]pyran-4-one (CID 139236737) is 2-[(4-chlorophenyl)diazenyl]pyran-4-one.
What is the SMILES notation for 2-[(4-chlorophenyl)diazenyl]pyran-4-one?
The canonical SMILES for 2-[(4-chlorophenyl)diazenyl]pyran-4-one is O=c1ccoc(/N=N/c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)diazenyl]pyran-4-one?
The InChIKey is YOXHZLNABGMAGW-BUHFOSPRSA-N. The full InChI is InChI=1S/C11H7ClN2O2/c12-8-1-3-9(4-2-8)13-14-11-7-10(15)5-6-16-11/h1-7H/b14-13+.
What are the key properties of 2-[(4-chlorophenyl)diazenyl]pyran-4-one?
2-[(4-chlorophenyl)diazenyl]pyran-4-one has a molecular weight of 234.64 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)diazenyl]pyran-4-one is sourced from PubChem (CID 139236737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).