2,6-dimethoxypyridine-3-carbonitrile

C8H8N2O2 — CID 11116381

IUPAC2,6-dimethoxypyridine-3-carbonitrile
SMILESCOc1ccc(C#N)c(OC)n1
InChIInChI=1S/C8H8N2O2/c1-11-7-4-3-6(5-9)8(10-7)12-2/h3-4H,1-2H3
InChIKeyFBFJMMFGOXVFIO-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.97
Rot. Bonds2

About 2,6-dimethoxypyridine-3-carbonitrile

2,6-dimethoxypyridine-3-carbonitrile (PubChem CID 11116381) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,6-dimethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethoxypyridine-3-carbonitrile
PubChem CID11116381
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name2,6-dimethoxypyridine-3-carbonitrile
SMILESCOc1ccc(C#N)c(OC)n1
InChIInChI=1S/C8H8N2O2/c1-11-7-4-3-6(5-9)8(10-7)12-2/h3-4H,1-2H3
InChIKeyFBFJMMFGOXVFIO-UHFFFAOYSA-N
XLogP0.97
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-6-methylnicotinonitrile
CID 5323803
2-Methoxy-4,6-dimethylnicotinonitrile
CID 595276
2,6-Dimethoxypyridine
CID 80378
2,6-Dimethoxy-4-methylnicotinonitrile
CID 334856
2-Methoxypyridine-3-carbonitrile
CID 252099
2-Methoxy-6-(tributylstannyl)pyridine
CID 10524891
6-Methoxy-2-pyridinecarbonitrile
CID 13023644
3-Iodo-2,6-dimethoxypyridine
CID 21923991
2-Methoxy-5-pyridinecarbonitrile
CID 2736776
(2,6-Dimethoxypyridin-3-yl)boronic acid
CID 2762707
6-Methoxypyridine-2-boronic acid
CID 2762741
6-(2-Methoxyethoxy)pyridine-3-carbonitrile
CID 24695049

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxypyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethoxypyridine-3-carbonitrile (CID 11116381) is 2,6-dimethoxypyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethoxypyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethoxypyridine-3-carbonitrile is COc1ccc(C#N)c(OC)n1.
What is the InChIKey of 2,6-dimethoxypyridine-3-carbonitrile?
The InChIKey is FBFJMMFGOXVFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-11-7-4-3-6(5-9)8(10-7)12-2/h3-4H,1-2H3.
What are the key properties of 2,6-dimethoxypyridine-3-carbonitrile?
2,6-dimethoxypyridine-3-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxypyridine-3-carbonitrile is sourced from PubChem (CID 11116381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).