2-[(pyridin-2-yldiazenyl)methyl]phenol

C12H11N3O — CID 54462661

IUPAC2-[(pyridin-2-yldiazenyl)methyl]phenol
SMILESOc1ccccc1C/N=N/c1ccccn1
InChIInChI=1S/C12H11N3O/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12/h1-8,16H,9H2/b15-14+
InChIKeyXCRMJNNGYBARGH-CCEZHUSRSA-N
MW213.24 g/mol
LogP3.07
Rot. Bonds3

About 2-[(pyridin-2-yldiazenyl)methyl]phenol

2-[(pyridin-2-yldiazenyl)methyl]phenol (PubChem CID 54462661) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(pyridin-2-yldiazenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(pyridin-2-yldiazenyl)methyl]phenol
PubChem CID54462661
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-[(pyridin-2-yldiazenyl)methyl]phenol
SMILESOc1ccccc1C/N=N/c1ccccn1
InChIInChI=1S/C12H11N3O/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12/h1-8,16H,9H2/b15-14+
InChIKeyXCRMJNNGYBARGH-CCEZHUSRSA-N
XLogP3.07
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.07
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

4-[(pyridin-2-yldiazenyl)methyl]benzene-1,2,3-triol
CID 91935009
2,4-dibromo-3-methyl-6-[(pyridin-2-yldiazenyl)methyl]phenol
CID 123165405
dipyridin-2-yldiazene;osmium
CID 173074203
N-amino-N'-[(2-hydroxyphenyl)methyl]pyridine-2-carboximidamide
CID 90973509
4-(pyridin-2-yldiazenyl)benzene-1,3-diol;titanium(4+)
CID 158518155
(2,6-dichlorophenyl)-pyridin-2-yldiazene
CID 102225413
(E)-pyridin-2-yliminothiourea
CID 177497182
N'-amino-N-pyridin-2-yliminomethanimidamide
CID 164575530
(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene
CID 91897824
(2-hydroxyphenyl)-bis(prop-2-enyl)-(pyridin-2-yldiazenyl)azanium
CID 70504326
ethane;10-(pyridin-2-yldiazenyl)phenanthren-9-ol
CID 136657550
propan-2-yl(pyridin-2-yl)diazene
CID 123501557

Frequently Asked Questions

What is the IUPAC name of 2-[(pyridin-2-yldiazenyl)methyl]phenol?
The IUPAC name of 2-[(pyridin-2-yldiazenyl)methyl]phenol (CID 54462661) is 2-[(pyridin-2-yldiazenyl)methyl]phenol.
What is the SMILES notation for 2-[(pyridin-2-yldiazenyl)methyl]phenol?
The canonical SMILES for 2-[(pyridin-2-yldiazenyl)methyl]phenol is Oc1ccccc1C/N=N/c1ccccn1.
What is the InChIKey of 2-[(pyridin-2-yldiazenyl)methyl]phenol?
The InChIKey is XCRMJNNGYBARGH-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11N3O/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12/h1-8,16H,9H2/b15-14+.
What are the key properties of 2-[(pyridin-2-yldiazenyl)methyl]phenol?
2-[(pyridin-2-yldiazenyl)methyl]phenol has a molecular weight of 213.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridin-2-yldiazenyl)methyl]phenol is sourced from PubChem (CID 54462661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).