2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile

C14H13N3O — CID 94830267

IUPAC2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile
SMILESC[C@H](N)c1ccc(Oc2ncccc2C#N)cc1
InChIInChI=1S/C14H13N3O/c1-10(16)11-4-6-13(7-5-11)18-14-12(9-15)3-2-8-17-14/h2-8,10H,16H2,1H3/t10-/m0/s1
InChIKeyBOEXVJGYSPNMTO-JTQLQIEISA-N
MW239.28 g/mol
LogP2.77
Rot. Bonds3

About 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile

2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile (PubChem CID 94830267) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile
PubChem CID94830267
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile
SMILESC[C@H](N)c1ccc(Oc2ncccc2C#N)cc1
InChIInChI=1S/C14H13N3O/c1-10(16)11-4-6-13(7-5-11)18-14-12(9-15)3-2-8-17-14/h2-8,10H,16H2,1H3/t10-/m0/s1
InChIKeyBOEXVJGYSPNMTO-JTQLQIEISA-N
XLogP2.77
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
CID 106485600
2-[4-[(2R)-2-amino-3-hydroxypropyl]phenoxy]pyridine-3-carbonitrile
CID 57162620
2-(3,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24709601
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
3-amino-2-(4-butan-2-ylphenoxy)pyridine-4-carbonitrile
CID 107663742
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
3-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 107114258
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
methyl 2-[(3-cyano-2-pyridinyl)oxy]propanoate
CID 117096453
2-[4-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]phenoxy]pyridine-3-carbonitrile
CID 25142839
methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
CID 122145206

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile (CID 94830267) is 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile is C[C@H](N)c1ccc(Oc2ncccc2C#N)cc1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile?
The InChIKey is BOEXVJGYSPNMTO-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13N3O/c1-10(16)11-4-6-13(7-5-11)18-14-12(9-15)3-2-8-17-14/h2-8,10H,16H2,1H3/t10-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile?
2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]phenoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 94830267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).