1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol

C17H15N3O — CID 54524247

IUPAC1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C/N=N/Cc1ccncc1
InChIInChI=1S/C17H15N3O/c21-17-6-5-14-3-1-2-4-15(14)16(17)12-20-19-11-13-7-9-18-10-8-13/h1-10,21H,11-12H2/b20-19+
InChIKeyYRZQASZTZHDDLV-FMQUCBEESA-N
MW277.33 g/mol
LogP4.09
Rot. Bonds4

About 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol

1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol (PubChem CID 54524247) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol
PubChem CID54524247
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C/N=N/Cc1ccncc1
InChIInChI=1S/C17H15N3O/c21-17-6-5-14-3-1-2-4-15(14)16(17)12-20-19-11-13-7-9-18-10-8-13/h1-10,21H,11-12H2/b20-19+
InChIKeyYRZQASZTZHDDLV-FMQUCBEESA-N
XLogP4.09
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(e)-n'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide
CID 135400486
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
Isoquinolin-5-ol
CID 30386
2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone
CID 135408575
N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
CID 4491
8-Hydroxyisoquinoline
CID 135441711
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
4-[5-(Pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]benzene-1,2-diol
CID 25033660
4-[5-(Pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol
CID 25033728
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811

Frequently Asked Questions

What is the IUPAC name of 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol (CID 54524247) is 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C/N=N/Cc1ccncc1.
What is the InChIKey of 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol?
The InChIKey is YRZQASZTZHDDLV-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O/c21-17-6-5-14-3-1-2-4-15(14)16(17)12-20-19-11-13-7-9-18-10-8-13/h1-10,21H,11-12H2/b20-19+.
What are the key properties of 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol?
1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol has a molecular weight of 277.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(pyridin-4-ylmethyldiazenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 54524247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).