3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile

C13H11N3O — CID 62889971

IUPAC3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1ccc(N)cc1
InChIInChI=1S/C13H11N3O/c14-8-13-10(2-1-7-16-13)9-17-12-5-3-11(15)4-6-12/h1-7H,9,15H2
InChIKeyRIXZDPJHCWTJCH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.11
Rot. Bonds3

About 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile

3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 62889971) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID62889971
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1COc1ccc(N)cc1
InChIInChI=1S/C13H11N3O/c14-8-13-10(2-1-7-16-13)9-17-12-5-3-11(15)4-6-12/h1-7H,9,15H2
InChIKeyRIXZDPJHCWTJCH-UHFFFAOYSA-N
XLogP2.11
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717
3-[[4-(methylamino)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894480
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62893274
3-[[4-[(1S)-1-aminopropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63367788
3-[[4-(4-chlorobut-1-ynyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 62894107
3-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 55128345
3-[(4-propanoylphenoxy)methyl]pyridine-2-carbonitrile
CID 62895615
3-[[4-[(1R)-1-hydroxypropyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63365521
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzoic acid
CID 106954817
4-amino-2-[(2-cyano-3-pyridinyl)methoxy]benzamide
CID 106955558
4-[(2-amino-3-pyridinyl)methoxy]benzonitrile
CID 62465646
3-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]pyridine-2-carbonitrile
CID 79799573

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile (CID 62889971) is 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1COc1ccc(N)cc1.
What is the InChIKey of 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is RIXZDPJHCWTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-13-10(2-1-7-16-13)9-17-12-5-3-11(15)4-6-12/h1-7H,9,15H2.
What are the key properties of 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile?
3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62889971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).