(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene

C15H17N3O2 — CID 91897824

IUPAC(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene
SMILESCCOc1ccc(C/N=N/c2ccccn2)cc1OC
InChIInChI=1S/C15H17N3O2/c1-3-20-13-8-7-12(10-14(13)19-2)11-17-18-15-6-4-5-9-16-15/h4-10H,3,11H2,1-2H3/b18-17+
InChIKeyBPWNFVKENOCKOF-ISLYRVAYSA-N
MW271.32 g/mol
LogP3.77
Rot. Bonds6

About (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene

(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene (PubChem CID 91897824) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene
PubChem CID91897824
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene
SMILESCCOc1ccc(C/N=N/c2ccccn2)cc1OC
InChIInChI=1S/C15H17N3O2/c1-3-20-13-8-7-12(10-14(13)19-2)11-17-18-15-6-4-5-9-16-15/h4-10H,3,11H2,1-2H3/b18-17+
InChIKeyBPWNFVKENOCKOF-ISLYRVAYSA-N
XLogP3.77
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)methyl]guanidine
CID 110893217
(2-ethoxyphenyl)-pyridin-2-yldiazene
CID 122538186
4-ethoxy-3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43717313
(2E,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841730
2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
4-ethoxy-3-methoxy-N-methylaniline
CID 63089329
3-(3-ethoxy-4-methoxyphenyl)-1-pyridin-2-ylpropan-1-ol
CID 82185290
(3,4-dimethoxyphenyl)methyl-(4-methyl-6-phenylpyrimidin-2-yl)diazene
CID 170922592
2-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyrimidine
CID 62699007
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene (CID 91897824) is (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene is CCOc1ccc(C/N=N/c2ccccn2)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene?
The InChIKey is BPWNFVKENOCKOF-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-20-13-8-7-12(10-14(13)19-2)11-17-18-15-6-4-5-9-16-15/h4-10H,3,11H2,1-2H3/b18-17+.
What are the key properties of (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene?
(4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene has a molecular weight of 271.32 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)methyl-pyridin-2-yldiazene is sourced from PubChem (CID 91897824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).