3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile

C12H8N2O2 — CID 23506220

IUPAC3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ncccc2O)c1
InChIInChI=1S/C12H8N2O2/c13-8-9-3-1-4-10(7-9)16-12-11(15)5-2-6-14-12/h1-7,15H
InChIKeyGWKUJICXRBVJOG-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.45
Rot. Bonds2

About 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile

3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile (PubChem CID 23506220) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
PubChem CID23506220
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
SMILESN#Cc1cccc(Oc2ncccc2O)c1
InChIInChI=1S/C12H8N2O2/c13-8-9-3-1-4-10(7-9)16-12-11(15)5-2-6-14-12/h1-7,15H
InChIKeyGWKUJICXRBVJOG-UHFFFAOYSA-N
XLogP2.45
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
3-[[3-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]benzonitrile
CID 114056377
2-(3-fluorophenoxy)pyridin-3-ol
CID 23506270
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-cyanophenoxy)pyridine-3-carboxamide
CID 22612427
2-(3-acetylphenoxy)pyridine-3-carbonitrile
CID 18194838
3-(2-amino-5-bromopyrimidin-4-yl)oxybenzonitrile
CID 80863504
4-[2-[[2-(3-cyanophenoxy)-3-pyridinyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 141003658
3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile
CID 83165691
2-(4-fluorophenoxy)pyridin-3-ol
CID 59089126
methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 104507270
3-(3-ethoxyphenoxy)benzonitrile
CID 66843791

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile?
The IUPAC name of 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile (CID 23506220) is 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile is N#Cc1cccc(Oc2ncccc2O)c1.
What is the InChIKey of 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile?
The InChIKey is GWKUJICXRBVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c13-8-9-3-1-4-10(7-9)16-12-11(15)5-2-6-14-12/h1-7,15H.
What are the key properties of 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile?
3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile has a molecular weight of 212.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 23506220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).