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

C16H13N3O — CID 136662737

IUPAC4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol
SMILESCc1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C16H13N3O/c1-11-10-14(18-19-15-8-4-5-9-17-15)16(20)13-7-3-2-6-12(11)13/h2-10,20H,1H3/b19-18+
InChIKeyTWTUYPDZNKNRBI-VHEBQXMUSA-N
MW263.30 g/mol
LogP4.66
Rot. Bonds2

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

4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol (PubChem CID 136662737) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol
PubChem CID136662737
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol
SMILESCc1cc(/N=N/c2ccccn2)c(O)c2ccccc12
InChIInChI=1S/C16H13N3O/c1-11-10-14(18-19-15-8-4-5-9-17-15)16(20)13-7-3-2-6-12(11)13/h2-10,20H,1H3/b19-18+
InChIKeyTWTUYPDZNKNRBI-VHEBQXMUSA-N
XLogP4.66
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.66
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 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol?
The IUPAC name of 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol (CID 136662737) is 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol.
What is the SMILES notation for 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol?
The canonical SMILES for 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol is Cc1cc(/N=N/c2ccccn2)c(O)c2ccccc12.
What is the InChIKey of 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol?
The InChIKey is TWTUYPDZNKNRBI-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-10-14(18-19-15-8-4-5-9-17-15)16(20)13-7-3-2-6-12(11)13/h2-10,20H,1H3/b19-18+.
What are the key properties of 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol?
4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol has a molecular weight of 263.30 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridin-2-yldiazenyl)naphthalen-1-ol is sourced from PubChem (CID 136662737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).