2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile

C14H12N2O — CID 610721

IUPAC2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile
SMILESCOc1ccc(C(C#N)c2ccccn2)cc1
InChIInChI=1S/C14H12N2O/c1-17-12-7-5-11(6-8-12)13(10-15)14-4-2-3-9-16-14/h2-9,13H,1H3
InChIKeyQDMAFCQMTITPDU-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.75
Rot. Bonds3

About 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile

2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile (PubChem CID 610721) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile
PubChem CID610721
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile
SMILESCOc1ccc(C(C#N)c2ccccn2)cc1
InChIInChI=1S/C14H12N2O/c1-17-12-7-5-11(6-8-12)13(10-15)14-4-2-3-9-16-14/h2-9,13H,1H3
InChIKeyQDMAFCQMTITPDU-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

Bisacodyl
CID 2391
(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
6-Methoxyquinoline
CID 14860
2-Phenoxynicotinonitrile
CID 84242
2-Methoxy-4,6-diphenylpyridine-3-carbonitrile
CID 678565
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
Ro 31-6930
CID 3036546
4-(Pyridin-3-yloxy)benzonitrile
CID 43137984
6-Methoxy-4-methylquinoline
CID 258761
4-Methoxyquinoline
CID 521938
RG 13022
CID 5468216
3-{[(1E)-5-methoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539769

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile (CID 610721) is 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile is COc1ccc(C(C#N)c2ccccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile?
The InChIKey is QDMAFCQMTITPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-12-7-5-11(6-8-12)13(10-15)14-4-2-3-9-16-14/h2-9,13H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile?
2-(4-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-(4-methoxyphenyl)-2-pyridin-2-ylacetonitrile is sourced from PubChem (CID 610721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).