2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile

C15H14N2O2 — CID 79158871

IUPAC2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile
SMILESCc1ccc(OCc2ccccc2C#N)c(CO)n1
InChIInChI=1S/C15H14N2O2/c1-11-6-7-15(14(9-18)17-11)19-10-13-5-3-2-4-12(13)8-16/h2-7,18H,9-10H2,1H3
InChIKeyHHEFETVRDWGYLU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.33
Rot. Bonds4

About 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile

2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile (PubChem CID 79158871) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile
PubChem CID79158871
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile
SMILESCc1ccc(OCc2ccccc2C#N)c(CO)n1
InChIInChI=1S/C15H14N2O2/c1-11-6-7-15(14(9-18)17-11)19-10-13-5-3-2-4-12(13)8-16/h2-7,18H,9-10H2,1H3
InChIKeyHHEFETVRDWGYLU-UHFFFAOYSA-N
XLogP2.33
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79158019
[3-[(2,4-dichlorophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79157833
[6-methyl-3-(quinolin-2-ylmethoxy)-2-pyridinyl]methanol
CID 79157803
[2-[(2-cyanophenyl)methoxy]phenyl]boronic acid
CID 43145286
[3-[2-(2-methoxyphenoxy)ethoxy]-6-methyl-2-pyridinyl]methanol
CID 79158678
2-[(4-methyl-1,3-thiazol-2-yl)oxymethyl]benzonitrile
CID 126954643
[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158522
2-[(4-amino-2-methoxyphenoxy)methyl]benzonitrile
CID 62110948
2-[(2-propan-2-ylphenoxy)methyl]benzonitrile
CID 22688243
2-(bromomethyl)-3-[(2-bromophenyl)methoxy]-6-methylpyridine
CID 79169212
2-[(2,5-dibromo-4-methoxyphenoxy)methyl]benzonitrile
CID 79415751
[6-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2-pyridinyl]methanol
CID 79156313

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile (CID 79158871) is 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile is Cc1ccc(OCc2ccccc2C#N)c(CO)n1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile?
The InChIKey is HHEFETVRDWGYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-6-7-15(14(9-18)17-11)19-10-13-5-3-2-4-12(13)8-16/h2-7,18H,9-10H2,1H3.
What are the key properties of 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile?
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxymethyl]benzonitrile is sourced from PubChem (CID 79158871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).