2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile

C15H14N2O — CID 82084085

IUPAC2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
SMILESCOc1ccc(C(C#N)Cc2ccccn2)cc1
InChIInChI=1S/C15H14N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-9,13H,10H2,1H3
InChIKeyRMWGJWXDVMTFCR-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.94
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile

2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile (PubChem CID 82084085) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
PubChem CID82084085
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
SMILESCOc1ccc(C(C#N)Cc2ccccn2)cc1
InChIInChI=1S/C15H14N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-9,13H,10H2,1H3
InChIKeyRMWGJWXDVMTFCR-UHFFFAOYSA-N
XLogP2.94
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile?
The IUPAC name of 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile (CID 82084085) is 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile is COc1ccc(C(C#N)Cc2ccccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile?
The InChIKey is RMWGJWXDVMTFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-18-15-7-5-12(6-8-15)13(11-16)10-14-4-2-3-9-17-14/h2-9,13H,10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile?
2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile has a molecular weight of 238.29 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 82084085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).