4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile

C13H10N2O2 — CID 114056436

IUPAC4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ncccc2CO)cc1
InChIInChI=1S/C13H10N2O2/c14-8-10-3-5-12(6-4-10)17-13-11(9-16)2-1-7-15-13/h1-7,16H,9H2
InChIKeyUBQXFAKGSCHJGZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.24
Rot. Bonds3

About 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile

4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile (PubChem CID 114056436) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile
PubChem CID114056436
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile
SMILESN#Cc1ccc(Oc2ncccc2CO)cc1
InChIInChI=1S/C13H10N2O2/c14-8-10-3-5-12(6-4-10)17-13-11(9-16)2-1-7-15-13/h1-7,16H,9H2
InChIKeyUBQXFAKGSCHJGZ-UHFFFAOYSA-N
XLogP2.24
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63653116
[2-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61258163
[2-(2,3-dihydro-1H-inden-5-yloxy)-3-pyridinyl]methanol
CID 61257544
4-[(2-amino-3-pyridinyl)methoxy]benzonitrile
CID 62465646
4-[2-[2-(hydroxymethyl)phenoxy]ethoxy]benzonitrile
CID 60772346
4-(3-phenylpyrazin-2-yl)oxybenzonitrile
CID 69174651
[2-(3-ethylphenoxy)-3-pyridinyl]methanol
CID 61257308
4-[[4-[(3-nitro-2-pyridinyl)oxy]phenoxy]methyl]benzonitrile
CID 139780055
[2-(2-ethylphenoxy)-3-pyridinyl]methanol
CID 61257757
4-[3-(hydroxymethyl)-4-iodophenoxy]benzonitrile
CID 165180431
4-[2-[4-(pyridin-2-ylamino)phenoxy]-3-pyridinyl]benzonitrile
CID 59374228
[2-(2-bromophenoxy)-3-pyridinyl]methanol
CID 61256696

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile (CID 114056436) is 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile is N#Cc1ccc(Oc2ncccc2CO)cc1.
What is the InChIKey of 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile?
The InChIKey is UBQXFAKGSCHJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c14-8-10-3-5-12(6-4-10)17-13-11(9-16)2-1-7-15-13/h1-7,16H,9H2.
What are the key properties of 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile?
4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(hydroxymethyl)-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 114056436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).