4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile

C15H14N2O2 — CID 81305629

IUPAC4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
SMILESCOc1ccc(C#N)c(OCCc2ccccn2)c1
InChIInChI=1S/C15H14N2O2/c1-18-14-6-5-12(11-16)15(10-14)19-9-7-13-4-2-3-8-17-13/h2-6,8,10H,7,9H2,1H3
InChIKeyGACMIVAVDSDPSQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.58
Rot. Bonds5

About 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile

4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile (PubChem CID 81305629) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
PubChem CID81305629
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile
SMILESCOc1ccc(C#N)c(OCCc2ccccn2)c1
InChIInChI=1S/C15H14N2O2/c1-18-14-6-5-12(11-16)15(10-14)19-9-7-13-4-2-3-8-17-13/h2-6,8,10H,7,9H2,1H3
InChIKeyGACMIVAVDSDPSQ-UHFFFAOYSA-N
XLogP2.58
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 20986806
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CID 22685905
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4-methoxy-2-(2-thiophen-2-ylethoxy)benzonitrile
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2-amino-5-bromo-3-(2-pyridin-2-ylethoxy)benzonitrile
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2-(3,5-dimethoxyphenyl)-3-(2-pyridin-2-ylethoxy)pyridine
CID 166385423
2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
CID 22996186
2-methoxy-4-(2-pyridin-2-ylethoxy)aniline
CID 63678212
2-[2-(4-bromophenoxy)ethoxy]-4-methoxybenzonitrile
CID 20992087
4-[2-(2-fluorophenyl)ethoxy]-2-methoxybenzonitrile
CID 90942860
4-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzonitrile
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4-methoxy-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 81306225

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile?
The IUPAC name of 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile (CID 81305629) is 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile?
The canonical SMILES for 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile is COc1ccc(C#N)c(OCCc2ccccn2)c1.
What is the InChIKey of 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile?
The InChIKey is GACMIVAVDSDPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-18-14-6-5-12(11-16)15(10-14)19-9-7-13-4-2-3-8-17-13/h2-6,8,10H,7,9H2,1H3.
What are the key properties of 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile?
4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-pyridin-2-ylethoxy)benzonitrile is sourced from PubChem (CID 81305629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).