2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile

C15H14N2O — CID 60890728

IUPAC2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C15H14N2O/c16-9-5-13-1-3-15(4-2-13)18-12-8-14-6-10-17-11-7-14/h1-4,6-7,10-11H,5,8,12H2
InChIKeyRNTIJKFTHLTVFI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.77
Rot. Bonds5

About 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile

2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile (PubChem CID 60890728) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile
PubChem CID60890728
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(OCCc2ccncc2)cc1
InChIInChI=1S/C15H14N2O/c16-9-5-13-1-3-15(4-2-13)18-12-8-14-6-10-17-11-7-14/h1-4,6-7,10-11H,5,8,12H2
InChIKeyRNTIJKFTHLTVFI-UHFFFAOYSA-N
XLogP2.77
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
2-[4-[2-(4-chlorophenoxy)ethoxy]phenyl]acetonitrile
CID 43243668
2-[4-[2-(4-iodophenoxy)ethoxy]phenyl]acetonitrile
CID 43289842
2-[4-[2-(4-bromophenoxy)ethoxy]phenyl]acetonitrile
CID 43243666
2-[4-(2-pyridin-4-ylethoxy)phenyl]ethanethioamide
CID 60891304
2-[4-[2-(1,3-thiazol-2-ylsulfanyl)ethoxy]phenyl]acetonitrile
CID 60552991
4-(2-pyridin-4-ylethoxy)benzenesulfonamide
CID 82910996
2-[4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]acetonitrile
CID 43243687
3-[4-(cyanomethyl)phenoxy]propanoic acid
CID 16772282
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]acetonitrile
CID 65446556
1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 60891122
(1R)-1-[4-(2-pyridin-4-ylethoxy)phenyl]propan-1-ol
CID 63365438

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile (CID 60890728) is 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile is N#CCc1ccc(OCCc2ccncc2)cc1.
What is the InChIKey of 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile?
The InChIKey is RNTIJKFTHLTVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-9-5-13-1-3-15(4-2-13)18-12-8-14-6-10-17-11-7-14/h1-4,6-7,10-11H,5,8,12H2.
What are the key properties of 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile?
2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyridin-4-ylethoxy)phenyl]acetonitrile is sourced from PubChem (CID 60890728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).