4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol

C16H13N3O2 — CID 136666149

IUPAC4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol
SMILESCOc1cc(O)c(/N=N/c2ccccn2)c2ccccc12
InChIInChI=1S/C16H13N3O2/c1-21-14-10-13(20)16(12-7-3-2-6-11(12)14)19-18-15-8-4-5-9-17-15/h2-10,20H,1H3/b19-18+
InChIKeyQRHNNPJVDQVOIX-VHEBQXMUSA-N
MW279.30 g/mol
LogP4.36
Rot. Bonds3

About 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol

4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol (PubChem CID 136666149) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol.

Molecular Properties

Compound Name4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol
PubChem CID136666149
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Name4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol
SMILESCOc1cc(O)c(/N=N/c2ccccn2)c2ccccc12
InChIInChI=1S/C16H13N3O2/c1-21-14-10-13(20)16(12-7-3-2-6-11(12)14)19-18-15-8-4-5-9-17-15/h2-10,20H,1H3/b19-18+
InChIKeyQRHNNPJVDQVOIX-VHEBQXMUSA-N
XLogP4.36
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.36
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol?
The IUPAC name of 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol (CID 136666149) is 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol.
What is the SMILES notation for 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol?
The canonical SMILES for 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol is COc1cc(O)c(/N=N/c2ccccn2)c2ccccc12.
What is the InChIKey of 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol?
The InChIKey is QRHNNPJVDQVOIX-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O2/c1-21-14-10-13(20)16(12-7-3-2-6-11(12)14)19-18-15-8-4-5-9-17-15/h2-10,20H,1H3/b19-18+.
What are the key properties of 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol?
4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol has a molecular weight of 279.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(pyridin-2-yldiazenyl)naphthalen-2-ol is sourced from PubChem (CID 136666149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).