5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile

C13H11N3O — CID 113321408

IUPAC5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1c(N)cccc1Oc1ccc(C#N)nc1
InChIInChI=1S/C13H11N3O/c1-9-12(15)3-2-4-13(9)17-11-6-5-10(7-14)16-8-11/h2-6,8H,15H2,1H3
InChIKeyHFAMLEWFGPWNPL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds2

About 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile

5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile (PubChem CID 113321408) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
PubChem CID113321408
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
SMILESCc1c(N)cccc1Oc1ccc(C#N)nc1
InChIInChI=1S/C13H11N3O/c1-9-12(15)3-2-4-13(9)17-11-6-5-10(7-14)16-8-11/h2-6,8H,15H2,1H3
InChIKeyHFAMLEWFGPWNPL-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-(3-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-methylphenoxy)pyridine-2-carbonitrile
CID 113321409
4-(3-amino-2-methylphenoxy)-2-methylbenzonitrile
CID 81279070
4-(3-amino-2-methylphenoxy)-2-bromobenzonitrile
CID 107280439
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
CID 113320711
4-(2,3-dimethylphenoxy)pyridine-2-carbonitrile
CID 62935721
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
5-(4-chlorophenoxy)pyridine-2-carbonitrile
CID 14823232
2-methyl-3-[3-(4-methylphenoxy)propoxy]aniline
CID 82097227
3-[(3-amino-2-methylphenoxy)methyl]benzonitrile
CID 43381829

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile (CID 113321408) is 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile is Cc1c(N)cccc1Oc1ccc(C#N)nc1.
What is the InChIKey of 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile?
The InChIKey is HFAMLEWFGPWNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-12(15)3-2-4-13(9)17-11-6-5-10(7-14)16-8-11/h2-6,8H,15H2,1H3.
What are the key properties of 5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile?
5-(3-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-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 113321408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).