5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile

C13H11N3O — CID 62074114

IUPAC5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCc1ccc(Oc2ccc(N)cc2C#N)cn1
InChIInChI=1S/C13H11N3O/c1-9-2-4-12(8-16-9)17-13-5-3-11(15)6-10(13)7-14/h2-6,8H,15H2,1H3
InChIKeyBZAHSIVGWSNVAU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.64
Rot. Bonds2

About 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile

5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile (PubChem CID 62074114) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
PubChem CID62074114
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile
SMILESCc1ccc(Oc2ccc(N)cc2C#N)cn1
InChIInChI=1S/C13H11N3O/c1-9-2-4-12(8-16-9)17-13-5-3-11(15)6-10(13)7-14/h2-6,8H,15H2,1H3
InChIKeyBZAHSIVGWSNVAU-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'}

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Related Compounds

5-amino-2-(3-methylpyrazin-2-yl)oxybenzonitrile
CID 83062806
3-[(6-methyl-3-pyridinyl)oxy]pyridine-4-carbonitrile
CID 114287943
5-(5-amino-2-methylphenoxy)pyridine-2-carbonitrile
CID 113321409
5-(5-amino-2-methoxyphenoxy)pyridine-2-carbonitrile
CID 113321406
[4-(4-amino-2-cyanophenoxy)phenyl]carbamic acid
CID 69333705
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
5-amino-2-[(3-bromo-5-chloro-2-pyridinyl)oxy]benzonitrile
CID 114836190
5-amino-2-(2-chloro-4-methylphenoxy)benzonitrile
CID 62670401
5-amino-2-pyridin-2-yloxybenzonitrile
CID 61388646
5-amino-2-(2,3,5-trimethylphenoxy)benzonitrile
CID 61297479
4-(4-amino-2-cyanophenoxy)-N,N-dimethylpyridine-2-carboxamide
CID 61388592
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile (CID 62074114) is 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile is Cc1ccc(Oc2ccc(N)cc2C#N)cn1.
What is the InChIKey of 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile?
The InChIKey is BZAHSIVGWSNVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-2-4-12(8-16-9)17-13-5-3-11(15)6-10(13)7-14/h2-6,8H,15H2,1H3.
What are the key properties of 5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile?
5-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile 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-amino-2-[(6-methyl-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 62074114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).