2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile

C13H11N3O — CID 106485600

IUPAC2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(CN)cc1
InChIInChI=1S/C13H11N3O/c14-8-10-3-5-12(6-4-10)17-13-11(9-15)2-1-7-16-13/h1-7H,8,14H2
InChIKeyARTNSQXTTVCQTB-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.20
Rot. Bonds3

About 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile

2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile (PubChem CID 106485600) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
PubChem CID106485600
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Oc1ccc(CN)cc1
InChIInChI=1S/C13H11N3O/c14-8-10-3-5-12(6-4-10)17-13-11(9-15)2-1-7-16-13/h1-7H,8,14H2
InChIKeyARTNSQXTTVCQTB-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile
CID 57162620
2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile
CID 94830267
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
2-(3,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24709601
[4-[(3-methylsulfonyl-2-pyridinyl)oxy]phenyl]methanamine
CID 114599487
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
CID 25142839
methyl 2-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485697
2-[4-[3-(4,4-difluoropiperidin-1-yl)-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
CID 143639015
2-phenylmethoxypyridine-3-carbonitrile
CID 12604511
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile (CID 106485600) is 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile is N#Cc1cccnc1Oc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile?
The InChIKey is ARTNSQXTTVCQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-10-3-5-12(6-4-10)17-13-11(9-15)2-1-7-16-13/h1-7H,8,14H2.
What are the key properties of 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile?
2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 106485600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).