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

C15H14N2O — CID 82084081

IUPAC2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
SMILESCOc1ccccc1C(C#N)Cc1ccncc1
InChIInChI=1S/C15H14N2O/c1-18-15-5-3-2-4-14(15)13(11-16)10-12-6-8-17-9-7-12/h2-9,13H,10H2,1H3
InChIKeyDAKXADFFKFHNMT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.94
Rot. Bonds4

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

2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile (PubChem CID 82084081) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
PubChem CID82084081
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile
SMILESCOc1ccccc1C(C#N)Cc1ccncc1
InChIInChI=1S/C15H14N2O/c1-18-15-5-3-2-4-14(15)13(11-16)10-12-6-8-17-9-7-12/h2-9,13H,10H2,1H3
InChIKeyDAKXADFFKFHNMT-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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Related Compounds

4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972
4-[2-cyano-2-(2-methoxyphenyl)ethyl]benzoic acid
CID 82139690
3-amino-2-(2-methoxyphenyl)propanenitrile
CID 82503443
3-[3-(dimethylamino)phenyl]-2-(2-methoxyphenyl)propanenitrile
CID 82141211
2-(2-methoxyphenyl)-3-naphthalen-1-ylpropanenitrile
CID 82139768
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
N-[1-(2-methoxyphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551587
3-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140609
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316
(1R)-1-(2-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28624444
3-(3-ethyl-4-methoxyphenyl)-2-(2-methylphenyl)propanenitrile
CID 82141674
1-(2-methoxyphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54941073

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile?
The IUPAC name of 2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile (CID 82084081) is 2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile is COc1ccccc1C(C#N)Cc1ccncc1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile?
The InChIKey is DAKXADFFKFHNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-18-15-5-3-2-4-14(15)13(11-16)10-12-6-8-17-9-7-12/h2-9,13H,10H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile?
2-(2-methoxyphenyl)-3-pyridin-4-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-(2-methoxyphenyl)-3-pyridin-4-ylpropanenitrile is sourced from PubChem (CID 82084081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).