3,4-dimethoxy-5-pyridin-3-ylbenzonitrile

C14H12N2O2 — CID 39231339

IUPAC3,4-dimethoxy-5-pyridin-3-ylbenzonitrile
SMILESCOc1cc(C#N)cc(-c2cccnc2)c1OC
InChIInChI=1S/C14H12N2O2/c1-17-13-7-10(8-15)6-12(14(13)18-2)11-4-3-5-16-9-11/h3-7,9H,1-2H3
InChIKeyVRYPYTYJSUHVET-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.64
Rot. Bonds3

About 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile

3,4-dimethoxy-5-pyridin-3-ylbenzonitrile (PubChem CID 39231339) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile.

Molecular Properties

Compound Name3,4-dimethoxy-5-pyridin-3-ylbenzonitrile
PubChem CID39231339
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3,4-dimethoxy-5-pyridin-3-ylbenzonitrile
SMILESCOc1cc(C#N)cc(-c2cccnc2)c1OC
InChIInChI=1S/C14H12N2O2/c1-17-13-7-10(8-15)6-12(14(13)18-2)11-4-3-5-16-9-11/h3-7,9H,1-2H3
InChIKeyVRYPYTYJSUHVET-UHFFFAOYSA-N
XLogP2.64
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
CID 39226574
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
3,4-dimethoxy-5-(8-methoxyquinolin-5-yl)benzonitrile
CID 39231570
3-(2-methoxy-3-pyridin-3-ylphenyl)pyridine
CID 46316374
3-bromo-4-hydroxy-5-pyridin-3-ylbenzonitrile
CID 167329027
3-(2-methoxyphenyl)pyridine
CID 4133297
3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid
CID 110447340
2-(6-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131870368
3-(2,4-dimethoxyphenyl)pyridine
CID 46316965
3-fluoro-5-pyridin-3-ylbenzonitrile
CID 46315568

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile?
The IUPAC name of 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile (CID 39231339) is 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile.
What is the SMILES notation for 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile?
The canonical SMILES for 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile is COc1cc(C#N)cc(-c2cccnc2)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile?
The InChIKey is VRYPYTYJSUHVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-13-7-10(8-15)6-12(14(13)18-2)11-4-3-5-16-9-11/h3-7,9H,1-2H3.
What are the key properties of 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile?
3,4-dimethoxy-5-pyridin-3-ylbenzonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-pyridin-3-ylbenzonitrile is sourced from PubChem (CID 39231339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).