2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile

C13H11N3O2 — CID 114764695

IUPAC2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Oc2cccc(O)c2N)n1
InChIInChI=1S/C13H11N3O2/c1-8-5-6-9(7-14)13(16-8)18-11-4-2-3-10(17)12(11)15/h2-6,17H,15H2,1H3
InChIKeyFFGBHSUAPGFKJR-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.34
Rot. Bonds2

About 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile

2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile (PubChem CID 114764695) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile
PubChem CID114764695
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Oc2cccc(O)c2N)n1
InChIInChI=1S/C13H11N3O2/c1-8-5-6-9(7-14)13(16-8)18-11-4-2-3-10(17)12(11)15/h2-6,17H,15H2,1H3
InChIKeyFFGBHSUAPGFKJR-UHFFFAOYSA-N
XLogP2.34
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile (CID 114764695) is 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Oc2cccc(O)c2N)n1.
What is the InChIKey of 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile?
The InChIKey is FFGBHSUAPGFKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-5-6-9(7-14)13(16-8)18-11-4-2-3-10(17)12(11)15/h2-6,17H,15H2,1H3.
What are the key properties of 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile?
2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-hydroxyphenoxy)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 114764695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).