2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile

C14H12N2O2 — CID 106794520

IUPAC2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
SMILESCOc1cc(COc2cccnc2)ccc1C#N
InChIInChI=1S/C14H12N2O2/c1-17-14-7-11(4-5-12(14)8-15)10-18-13-3-2-6-16-9-13/h2-7,9H,10H2,1H3
InChIKeyQSQDTRIQQJMZPG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.54
Rot. Bonds4

About 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile

2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile (PubChem CID 106794520) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
PubChem CID106794520
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
SMILESCOc1cc(COc2cccnc2)ccc1C#N
InChIInChI=1S/C14H12N2O2/c1-17-14-7-11(4-5-12(14)8-15)10-18-13-3-2-6-16-9-13/h2-7,9H,10H2,1H3
InChIKeyQSQDTRIQQJMZPG-UHFFFAOYSA-N
XLogP2.54
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788603
2-methoxy-4-[(4-propylphenoxy)methyl]benzonitrile
CID 106788610
3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
CID 113269444
3-[(4-methoxy-3-nitrophenyl)methoxy]pyridine
CID 112558634
2-methoxy-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787758
2-methoxy-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787757
4-fluoro-2-(pyridin-3-yloxymethyl)benzonitrile
CID 114014859
4-[(3-bromo-4-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788655
2-methoxy-4-(phenylmethoxymethyl)benzonitrile
CID 106788482
2-methoxy-4-[(2,4,5-trichlorophenoxy)methyl]benzonitrile
CID 106788537
4-[[2-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788619
4-[(2,3-dichlorophenoxy)methyl]-2-methoxybenzonitrile
CID 106788545

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile?
The IUPAC name of 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile (CID 106794520) is 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile.
What is the SMILES notation for 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile?
The canonical SMILES for 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile is COc1cc(COc2cccnc2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile?
The InChIKey is QSQDTRIQQJMZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-14-7-11(4-5-12(14)8-15)10-18-13-3-2-6-16-9-13/h2-7,9H,10H2,1H3.
What are the key properties of 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile?
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile is sourced from PubChem (CID 106794520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).