3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile

C14H12N2O2 — CID 114056377

IUPAC3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile
SMILESC[C@@H](O)c1cccnc1Oc1cccc(C#N)c1
InChIInChI=1S/C14H12N2O2/c1-10(17)13-6-3-7-16-14(13)18-12-5-2-4-11(8-12)9-15/h2-8,10,17H,1H3/t10-/m1/s1
InChIKeyNXEAHXJVSFXIHL-SNVBAGLBSA-N
MW240.26 g/mol
LogP2.80
Rot. Bonds3

About 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile

3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile (PubChem CID 114056377) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile
PubChem CID114056377
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile
SMILESC[C@@H](O)c1cccnc1Oc1cccc(C#N)c1
InChIInChI=1S/C14H12N2O2/c1-10(17)13-6-3-7-16-14(13)18-12-5-2-4-11(8-12)9-15/h2-8,10,17H,1H3/t10-/m1/s1
InChIKeyNXEAHXJVSFXIHL-SNVBAGLBSA-N
XLogP2.80
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol
CID 114056411
3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
CID 23506220
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
(1R)-1-[2-(3,4-difluorophenoxy)-3-pyridinyl]ethanol
CID 114056480
3-(2-hydroxypropoxy)benzonitrile
CID 54593211
2-(3-fluorophenoxy)-3-propan-2-ylpyridine
CID 130395980
3-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]benzonitrile
CID 63372254
(1S)-1-[2-(2,3-dichlorophenoxy)-3-pyridinyl]ethanol
CID 114056372
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
3-[5-[(1S)-1-hydroxyethyl]-3-nitrothiophen-2-yl]oxybenzonitrile
CID 103942174
3-[5-(1-hydroxyethyl)-3-nitrothiophen-2-yl]oxybenzonitrile
CID 115964585

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile (CID 114056377) is 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile is C[C@@H](O)c1cccnc1Oc1cccc(C#N)c1.
What is the InChIKey of 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile?
The InChIKey is NXEAHXJVSFXIHL-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-10(17)13-6-3-7-16-14(13)18-12-5-2-4-11(8-12)9-15/h2-8,10,17H,1H3/t10-/m1/s1.
What are the key properties of 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile?
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 114056377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).