4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile

C15H14N2O2 — CID 117053031

IUPAC4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
SMILESCOc1ccc(C#N)cc1OC(C)c1ccccn1
InChIInChI=1S/C15H14N2O2/c1-11(13-5-3-4-8-17-13)19-15-9-12(10-16)6-7-14(15)18-2/h3-9,11H,1-2H3
InChIKeyDSBWBRALNOKEFJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.10
Rot. Bonds4

About 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile

4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile (PubChem CID 117053031) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile.

Molecular Properties

Compound Name4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
PubChem CID117053031
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
SMILESCOc1ccc(C#N)cc1OC(C)c1ccccn1
InChIInChI=1S/C15H14N2O2/c1-11(13-5-3-4-8-17-13)19-15-9-12(10-16)6-7-14(15)18-2/h3-9,11H,1-2H3
InChIKeyDSBWBRALNOKEFJ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(pyridin-2-ylmethoxy)benzonitrile
CID 117053030
3-methoxy-4-(1-pyridin-2-ylethoxy)benzoic acid
CID 117053449
3-(2-amino-1-pyridin-2-ylpropoxy)-5-methoxybenzonitrile
CID 103566567
4-[1-(4-aminophenyl)ethoxy]-3-methoxybenzonitrile
CID 61261287
4-(2-amino-1-pyridin-2-ylbutoxy)-3-fluorobenzonitrile
CID 107670268
2-[(1R)-1-phenoxyethyl]pyridine
CID 15893448
4-[(3-amino-2-pyridinyl)oxy]-3-methoxybenzonitrile
CID 16781104
2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
CID 10704351
3-[2-(2-ethoxyphenoxy)ethoxy]-4-methoxybenzonitrile
CID 20993127
3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 60929772
6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920773
(3,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 14098122

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile?
The IUPAC name of 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile (CID 117053031) is 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile.
What is the SMILES notation for 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile?
The canonical SMILES for 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile is COc1ccc(C#N)cc1OC(C)c1ccccn1.
What is the InChIKey of 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile?
The InChIKey is DSBWBRALNOKEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-11(13-5-3-4-8-17-13)19-15-9-12(10-16)6-7-14(15)18-2/h3-9,11H,1-2H3.
What are the key properties of 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile?
4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile has a molecular weight of 254.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile is sourced from PubChem (CID 117053031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).