3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile

C15H14N2O2 — CID 102881171

IUPAC3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cncc(C)c1
InChIInChI=1S/C15H14N2O2/c1-11-5-13(9-17-8-11)10-19-14-4-3-12(7-16)6-15(14)18-2/h3-6,8-9H,10H2,1-2H3
InChIKeyVDLZVEBDZCYPRW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.85
Rot. Bonds4

About 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile

3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile (PubChem CID 102881171) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
PubChem CID102881171
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile
SMILESCOc1cc(C#N)ccc1OCc1cncc(C)c1
InChIInChI=1S/C15H14N2O2/c1-11-5-13(9-17-8-11)10-19-14-4-3-12(7-16)6-15(14)18-2/h3-6,8-9H,10H2,1-2H3
InChIKeyVDLZVEBDZCYPRW-UHFFFAOYSA-N
XLogP2.85
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyl-3-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 102881178
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
1-[3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102881584
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
4-[(5-bromo-3-pyridinyl)methoxy]-3-ethoxybenzonitrile
CID 115580571
3-methoxy-4-(thiophen-3-ylmethoxy)benzonitrile
CID 43646133
4-[(4-cyano-2-methoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481463
3-[3-methyl-4-[(5-methyl-3-pyridinyl)methoxy]phenyl]prop-2-yn-1-ol
CID 102878082
3-methoxy-4-[(6-methyl-2-pyridinyl)methoxy]benzonitrile
CID 79267517
4-[(5-chloropyrazin-2-yl)methoxy]-3-methoxybenzonitrile
CID 103054689
3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methylbenzonitrile
CID 103760137
1-[4-methoxy-3-[(5-methyl-3-pyridinyl)methoxy]phenyl]propan-2-amine
CID 102878176

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile?
The IUPAC name of 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile (CID 102881171) is 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile?
The canonical SMILES for 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile is COc1cc(C#N)ccc1OCc1cncc(C)c1.
What is the InChIKey of 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile?
The InChIKey is VDLZVEBDZCYPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11-5-13(9-17-8-11)10-19-14-4-3-12(7-16)6-15(14)18-2/h3-6,8-9H,10H2,1-2H3.
What are the key properties of 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile?
3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(5-methyl-3-pyridinyl)methoxy]benzonitrile is sourced from PubChem (CID 102881171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).