(2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile

C14H12N2O — CID 124674566

IUPAC(2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile
SMILESC[C@@H](C#N)Oc1ccccc1-c1ccccn1
InChIInChI=1S/C14H12N2O/c1-11(10-15)17-14-8-3-2-6-12(14)13-7-4-5-9-16-13/h2-9,11H,1H3/t11-/m0/s1
InChIKeySBGROXKVWRSZJZ-NSHDSACASA-N
MW224.26 g/mol
LogP3.04
Rot. Bonds3

About (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile

(2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile (PubChem CID 124674566) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile.

Molecular Properties

Compound Name(2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile
PubChem CID124674566
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile
SMILESC[C@@H](C#N)Oc1ccccc1-c1ccccn1
InChIInChI=1S/C14H12N2O/c1-11(10-15)17-14-8-3-2-6-12(14)13-7-4-5-9-16-13/h2-9,11H,1H3/t11-/m0/s1
InChIKeySBGROXKVWRSZJZ-NSHDSACASA-N
XLogP3.04
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-pyridin-2-ylphenyl) hypoiodite
CID 126708282
CID 58803467
CID 58803467
2-(2-pyridin-2-ylphenoxy)ethanol
CID 170698166
2-[2-[1-(4-fluorophenoxy)ethyl]phenyl]pyridine
CID 122364193
2-(2-propan-2-ylphenyl)pyridine
CID 55253137
2-[2-[(2-propan-2-ylphenoxy)methyl]phenyl]pyridine
CID 135021360
2-methyl-3-pyridin-2-ylbenzenethiol
CID 66915624
2-(2-pyridin-2-ylphenyl)acetonitrile
CID 53446408
(2-pyridin-2-ylphenyl) 2,2,2-trifluoroacetate
CID 102529652
2-(4-pyridin-2-ylphenyl)propanenitrile
CID 139809245
2-(2-methylphenyl)pyridine
CID 144596153
2-pyridin-2-ylphenol;hydrate
CID 175244966

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile?
The IUPAC name of (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile (CID 124674566) is (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile.
What is the SMILES notation for (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile?
The canonical SMILES for (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile is C[C@@H](C#N)Oc1ccccc1-c1ccccn1.
What is the InChIKey of (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile?
The InChIKey is SBGROXKVWRSZJZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H12N2O/c1-11(10-15)17-14-8-3-2-6-12(14)13-7-4-5-9-16-13/h2-9,11H,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile?
(2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile has a molecular weight of 224.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-pyridin-2-ylphenoxy)propanenitrile is sourced from PubChem (CID 124674566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).