2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol

C16H13N3O — CID 136666310

IUPAC2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCc1ccnc(/N=N/c2ccc3ccccc3c2O)c1
InChIInChI=1S/C16H13N3O/c1-11-8-9-17-15(10-11)19-18-14-7-6-12-4-2-3-5-13(12)16(14)20/h2-10,20H,1H3/b19-18+
InChIKeyCEQGCSICUBHLSU-VHEBQXMUSA-N
MW263.30 g/mol
LogP4.66
Rot. Bonds2

About 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol

2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol (PubChem CID 136666310) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol
PubChem CID136666310
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCc1ccnc(/N=N/c2ccc3ccccc3c2O)c1
InChIInChI=1S/C16H13N3O/c1-11-8-9-17-15(10-11)19-18-14-7-6-12-4-2-3-5-13(12)16(14)20/h2-10,20H,1H3/b19-18+
InChIKeyCEQGCSICUBHLSU-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 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol (CID 136666310) is 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol is Cc1ccnc(/N=N/c2ccc3ccccc3c2O)c1.
What is the InChIKey of 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol?
The InChIKey is CEQGCSICUBHLSU-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-8-9-17-15(10-11)19-18-14-7-6-12-4-2-3-5-13(12)16(14)20/h2-10,20H,1H3/b19-18+.
What are the key properties of 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol?
2-[(4-methyl-2-pyridinyl)diazenyl]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 2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136666310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).