1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol

C15H9Cl2N3O — CID 3995049

IUPAC1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O/c16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21/h1-8,21H/b20-19+
InChIKeyLBGFLEHINUQYED-FMQUCBEESA-N
MW318.16 g/mol
LogP5.66
Rot. Bonds2

About 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol

1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol (PubChem CID 3995049) has the molecular formula C15H9Cl2N3O and a molecular weight of 318.16 g/mol. Its IUPAC name is 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol
PubChem CID3995049
Molecular FormulaC15H9Cl2N3O
Molecular Weight318.16 g/mol
Exact Mass317.01
IUPAC Name1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2N3O/c16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21/h1-8,21H/b20-19+
InChIKeyLBGFLEHINUQYED-FMQUCBEESA-N
XLogP5.66
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.16
LogP ≤ 55.66
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 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol (CID 3995049) is 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/N=N/c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol?
The InChIKey is LBGFLEHINUQYED-FMQUCBEESA-N. The full InChI is InChI=1S/C15H9Cl2N3O/c16-10-7-12(17)15(18-8-10)20-19-14-11-4-2-1-3-9(11)5-6-13(14)21/h1-8,21H/b20-19+.
What are the key properties of 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol?
1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol has a molecular weight of 318.16 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-2-pyridinyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 3995049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).