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

C13H11N3O — CID 63888827

IUPAC4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2cccc(N)c2)ccn1
InChIInChI=1S/C13H11N3O/c14-8-12-6-10(4-5-16-12)9-17-13-3-1-2-11(15)7-13/h1-7H,9,15H2
InChIKeyVCZVEOALAVSVOI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.11
Rot. Bonds3

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

4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63888827) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63888827
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(COc2cccc(N)c2)ccn1
InChIInChI=1S/C13H11N3O/c14-8-12-6-10(4-5-16-12)9-17-13-3-1-2-11(15)7-13/h1-7H,9,15H2
InChIKeyVCZVEOALAVSVOI-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[3-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887840
4-[[3-(chloromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882354
4-[[3-(1-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887242
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033
4-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63884627
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
(2-cyano-4-pyridinyl)methyl 3-aminobenzoate
CID 63880643
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(4-bromophenoxy)methyl]pyridine-2-carbonitrile
CID 63880574
4-[(4-amino-2,6-dibromophenoxy)methyl]pyridine-2-carbonitrile
CID 63889415
4-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]pyridine-2-carbonitrile
CID 63888851
4-[(4-chloro-3-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63884435

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile (CID 63888827) is 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile is N#Cc1cc(COc2cccc(N)c2)ccn1.
What is the InChIKey of 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is VCZVEOALAVSVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-12-6-10(4-5-16-12)9-17-13-3-1-2-11(15)7-13/h1-7H,9,15H2.
What are the key properties of 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile?
4-[(3-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 4-[(3-aminophenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63888827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).