2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile

C14H12N2O — CID 10704351

IUPAC2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
SMILESCOc1ccccc1C(C#N)c1ccccn1
InChIInChI=1S/C14H12N2O/c1-17-14-8-3-2-6-11(14)12(10-15)13-7-4-5-9-16-13/h2-9,12H,1H3
InChIKeyKHMWNUITPCTXKC-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile

2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile (PubChem CID 10704351) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
PubChem CID10704351
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile
SMILESCOc1ccccc1C(C#N)c1ccccn1
InChIInChI=1S/C14H12N2O/c1-17-14-8-3-2-6-11(14)12(10-15)13-7-4-5-9-16-13/h2-9,12H,1H3
InChIKeyKHMWNUITPCTXKC-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dipyridin-2-ylacetonitrile
CID 14006057
(2S)-2-(6-chloropyrimidin-4-yl)-2-(2-methoxyphenyl)acetonitrile
CID 146674037
2-(2-methoxyphenyl)-2-(5-nitro-2-pyridinyl)acetonitrile
CID 82092784
1-(2-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 66848705
(2R)-3-(4-methoxy-3-phenylphenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 94409297
3-amino-1-(2-methoxyphenyl)-2-pyridin-2-ylpropan-1-ol
CID 80527197
2-(5-hydroxy-3-pyridinyl)-2-(2-methoxyphenyl)acetonitrile
CID 15369624
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
2-[8-[cyano(pyridin-2-yl)methyl]-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-pyridin-2-ylacetonitrile
CID 14170742
(S)-(2-methoxy-5-methylphenyl)-pyridin-2-ylmethanol
CID 94605501
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
4-methoxy-3-(1-pyridin-2-ylethoxy)benzonitrile
CID 117053031

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile?
The IUPAC name of 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile (CID 10704351) is 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile?
The canonical SMILES for 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile is COc1ccccc1C(C#N)c1ccccn1.
What is the InChIKey of 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile?
The InChIKey is KHMWNUITPCTXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-14-8-3-2-6-11(14)12(10-15)13-7-4-5-9-16-13/h2-9,12H,1H3.
What are the key properties of 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile?
2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 10704351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).