3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile

C14H12N2O2 — CID 79800273

IUPAC3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
SMILESN#Cc1cccc(COc2ccc(CO)nc2)c1
InChIInChI=1S/C14H12N2O2/c15-7-11-2-1-3-12(6-11)10-18-14-5-4-13(9-17)16-8-14/h1-6,8,17H,9-10H2
InChIKeyCPBFASHYLTZLIZ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.02
Rot. Bonds4

About 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile

3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile (PubChem CID 79800273) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
PubChem CID79800273
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile
SMILESN#Cc1cccc(COc2ccc(CO)nc2)c1
InChIInChI=1S/C14H12N2O2/c15-7-11-2-1-3-12(6-11)10-18-14-5-4-13(9-17)16-8-14/h1-6,8,17H,9-10H2
InChIKeyCPBFASHYLTZLIZ-UHFFFAOYSA-N
XLogP2.02
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol
CID 79793730
3-[[3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 28561914
3-[[4-bromo-3-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 66738468
[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methanol
CID 79800019
[5-[(3,4-difluorophenyl)methoxy]-2-pyridinyl]methanol
CID 18758409
3-[[4-(methylamino)phenoxy]methyl]benzonitrile
CID 61026564
3-[(3,5-difluorophenoxy)methyl]benzonitrile
CID 62784850
3-(1H-indazol-5-yloxymethyl)benzonitrile
CID 18447114
3-[(3-aminophenoxy)methyl]benzonitrile
CID 16795875
3-[[4-(3-chloroprop-1-ynyl)phenoxy]methyl]benzonitrile
CID 60802181
ethane;3-[[4-(1H-imidazol-5-yl)phenoxy]methyl]benzonitrile
CID 167474314
3-(3H-benzimidazol-5-yloxymethyl)benzonitrile
CID 167275121

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile?
The IUPAC name of 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile (CID 79800273) is 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile.
What is the SMILES notation for 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile?
The canonical SMILES for 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile is N#Cc1cccc(COc2ccc(CO)nc2)c1.
What is the InChIKey of 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile?
The InChIKey is CPBFASHYLTZLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-7-11-2-1-3-12(6-11)10-18-14-5-4-13(9-17)16-8-14/h1-6,8,17H,9-10H2.
What are the key properties of 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile?
3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(hydroxymethyl)-3-pyridinyl]oxymethyl]benzonitrile is sourced from PubChem (CID 79800273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).