1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol

C16H10ClN3O3 — CID 17778

IUPAC1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H/b19-18+
InChIKeyXLTMWFMRJZDFFD-VHEBQXMUSA-N
MW327.73 g/mol
LogP5.52
Rot. Bonds3

About 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol

1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol (PubChem CID 17778) has the molecular formula C16H10ClN3O3 and a molecular weight of 327.73 g/mol. Its IUPAC name is 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol
PubChem CID17778
Molecular FormulaC16H10ClN3O3
Molecular Weight327.73 g/mol
Exact Mass327.04
IUPAC Name1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol
SMILESO=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H/b19-18+
InChIKeyXLTMWFMRJZDFFD-VHEBQXMUSA-N
XLogP5.52
TPSA88.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.73
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol (CID 17778) is 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol is O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc3ccccc23)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol?
The InChIKey is XLTMWFMRJZDFFD-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H10ClN3O3/c17-13-9-11(20(22)23)6-7-14(13)18-19-16-12-4-2-1-3-10(12)5-8-15(16)21/h1-9,21H/b19-18+.
What are the key properties of 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol?
1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol has a molecular weight of 327.73 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-nitrophenyl)diazenyl]naphthalen-2-ol is sourced from PubChem (CID 17778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).