3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile

C14H12N2O2 — CID 113269444

IUPAC3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
SMILESCOc1cccc(COc2cnccc2C#N)c1
InChIInChI=1S/C14H12N2O2/c1-17-13-4-2-3-11(7-13)10-18-14-9-16-6-5-12(14)8-15/h2-7,9H,10H2,1H3
InChIKeyXDGCXRTZFQFHHG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.54
Rot. Bonds4

About 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile

3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile (PubChem CID 113269444) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
PubChem CID113269444
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile
SMILESCOc1cccc(COc2cnccc2C#N)c1
InChIInChI=1S/C14H12N2O2/c1-17-13-4-2-3-11(7-13)10-18-14-9-16-6-5-12(14)8-15/h2-7,9H,10H2,1H3
InChIKeyXDGCXRTZFQFHHG-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

3-[(3-methoxyphenyl)methoxy]pyridazine-4-carbonitrile
CID 80510175
5-amino-2-[(3-methoxyphenyl)methoxy]benzonitrile
CID 55134763
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
CID 55104413
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
4-[[3-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzonitrile
CID 106788603
5-(3-methoxyphenyl)-2-phenylmethoxybenzonitrile
CID 175686469
3-propoxypyridine-4-carbonitrile
CID 19432765
1-methoxy-3-[(2-methylphenoxy)methyl]benzene
CID 59416569
2-[(3,4-dichlorophenyl)methoxy]-4-methoxybenzonitrile
CID 22683873
3-[(6-fluoro-2-pyridinyl)methoxy]pyridine-4-carbonitrile
CID 163223891
5-[(3-methoxyphenyl)methoxy]pyridine-3-carboxylic acid
CID 63852197
3-[(3-methoxyphenyl)methoxy]-4-methylaniline
CID 43520224

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile (CID 113269444) is 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile is COc1cccc(COc2cnccc2C#N)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile?
The InChIKey is XDGCXRTZFQFHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-13-4-2-3-11(7-13)10-18-14-9-16-6-5-12(14)8-15/h2-7,9H,10H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile?
3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile 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 3-[(3-methoxyphenyl)methoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 113269444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).