5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile

C13H11N3O — CID 113321409

IUPAC5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1ccc(N)cc1Oc1ccc(C#N)nc1
InChIInChI=1S/C13H11N3O/c1-9-2-3-10(15)6-13(9)17-12-5-4-11(7-14)16-8-12/h2-6,8H,15H2,1H3
InChIKeyUMLUSJGHOZCVEN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds2

About 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile

5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile (PubChem CID 113321409) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
PubChem CID113321409
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1ccc(N)cc1Oc1ccc(C#N)nc1
InChIInChI=1S/C13H11N3O/c1-9-2-3-10(15)6-13(9)17-12-5-4-11(7-14)16-8-12/h2-6,8H,15H2,1H3
InChIKeyUMLUSJGHOZCVEN-UHFFFAOYSA-N
XLogP2.64
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile 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

5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321408
5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 62074114
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
CID 115487857
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
2-(5-amino-2-methylphenoxy)acetonitrile
CID 43520229
4-methyl-3-(4-propan-2-ylphenoxy)aniline
CID 155433623
5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
CID 113320711
4-[3-(2,4-diaminophenoxy)-4-methylphenoxy]benzene-1,3-diamine
CID 141165190
4-methyl-3-(3-methylpyrazin-2-yl)oxyaniline
CID 83065097
2-(5-amino-2-methylphenoxy)-4-bromobenzonitrile
CID 114905355

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile (CID 113321409) is 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile is Cc1ccc(N)cc1Oc1ccc(C#N)nc1.
What is the InChIKey of 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile?
The InChIKey is UMLUSJGHOZCVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-2-3-10(15)6-13(9)17-12-5-4-11(7-14)16-8-12/h2-6,8H,15H2,1H3.
What are the key properties of 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile?
5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 113321409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).