2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile

C14H12N2O — CID 117001949

IUPAC2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
SMILESCOc1ccccc1-c1ccc(CC#N)cn1
InChIInChI=1S/C14H12N2O/c1-17-14-5-3-2-4-12(14)13-7-6-11(8-9-15)10-16-13/h2-7,10H,8H2,1H3
InChIKeyBWNMPZQYCTZBBT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.82
Rot. Bonds3

About 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile

2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile (PubChem CID 117001949) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
PubChem CID117001949
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile
SMILESCOc1ccccc1-c1ccc(CC#N)cn1
InChIInChI=1S/C14H12N2O/c1-17-14-5-3-2-4-12(14)13-7-6-11(8-9-15)10-16-13/h2-7,10H,8H2,1H3
InChIKeyBWNMPZQYCTZBBT-UHFFFAOYSA-N
XLogP2.82
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
CID 82452851
2-(6-pyridin-2-yl-3-pyridinyl)acetonitrile
CID 121008779
N-[[6-(2-methoxyphenyl)-3-pyridinyl]methyl]prop-2-enamide
CID 172887450
2-[6-(2,3,4,5,6-pentafluorophenyl)-3-pyridinyl]acetonitrile
CID 118815019
2-[6-(4-tert-butylphenyl)-3-pyridinyl]acetonitrile
CID 67155708
[6-(2,6-dimethoxyphenyl)-3-pyridinyl]methanol
CID 24729907
5-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine
CID 59637200
2-(2-hexoxyphenyl)-5-(3-methoxypropyl)pyridine
CID 19807867
2-(cyanomethyl)-5-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353624
2-[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]acetonitrile
CID 96602601
2,9-bis(2-methoxyphenyl)-1,10-phenanthroline
CID 10691911
2-[4-[(2-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43231857

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile (CID 117001949) is 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile is COc1ccccc1-c1ccc(CC#N)cn1.
What is the InChIKey of 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile?
The InChIKey is BWNMPZQYCTZBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-14-5-3-2-4-12(14)13-7-6-11(8-9-15)10-16-13/h2-7,10H,8H2,1H3.
What are the key properties of 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile?
2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-methoxyphenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 117001949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).