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

C13H11N3O2 — CID 113321406

IUPAC5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
SMILESCOc1ccc(N)cc1Oc1ccc(C#N)nc1
InChIInChI=1S/C13H11N3O2/c1-17-12-5-2-9(15)6-13(12)18-11-4-3-10(7-14)16-8-11/h2-6,8H,15H2,1H3
InChIKeyLJIVPOGGUQBLBO-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.34
Rot. Bonds3

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

5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile (PubChem CID 113321406) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
PubChem CID113321406
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
SMILESCOc1ccc(N)cc1Oc1ccc(C#N)nc1
InChIInChI=1S/C13H11N3O2/c1-17-12-5-2-9(15)6-13(12)18-11-4-3-10(7-14)16-8-11/h2-6,8H,15H2,1H3
InChIKeyLJIVPOGGUQBLBO-UHFFFAOYSA-N
XLogP2.34
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321409
5-(4-cyano-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 115487862
5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
CID 62074114
N-(4-amino-2-methoxyphenyl)-6-cyanopyridine-3-sulfonamide
CID 114612830
5-(3-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321408
3-[(2,6-dimethyl-4-pyridinyl)oxy]-4-methoxyaniline
CID 114272204
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
5-(2,5-difluorophenoxy)pyridine-2-carbonitrile
CID 113320711
4-[(6-cyano-3-pyridinyl)oxy]benzamide
CID 115487898
5-(4-chlorophenoxy)pyridine-2-carbonitrile
CID 14823232
3-(5-amino-2-methoxyphenoxy)-1H-pyrazin-2-one
CID 114570848
5-(4-chloro-2,6-dimethylphenoxy)pyridine-2-carbonitrile
CID 115487857

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile (CID 113321406) is 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile is COc1ccc(N)cc1Oc1ccc(C#N)nc1.
What is the InChIKey of 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile?
The InChIKey is LJIVPOGGUQBLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-12-5-2-9(15)6-13(12)18-11-4-3-10(7-14)16-8-11/h2-6,8H,15H2,1H3.
What are the key properties of 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile?
5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 113321406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).